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Section C: Specifications of certain flavouring agents


At its 44th meeting JECFA considered a new approach to the safety evaluation of flavouring agents. This approach incorporates a series of criteria whose use enables the evaluation of a large number of these agents in a consistent and timely manner. At the current meeting of the Committee specifications of identity and purity were prepared or revised for 138 flavouring agents.

Information on specifications for flavouring agents is given on the following tables under the following headings, most of which are self-explanatory:

Name; Chemical name (Systematic name); Synonyms; Flavour and Extract Manufacturers' Association of the United States (FEMA) No; FLAVIS (FL) No; Chemical Abstract Service Registry (CAS) No; Molecular weight; Chemical formula; Physical form/odour; Solubility; Solubility in ethanol, Boiling point (for information only); Identification test (ID); Assay min% (Gas chromatographic (GC) assay of flavouring agents); Acid value max; Refractive index (at 20º, if not otherwise stated); Specific gravity (at 25º, if not otherwise stated)

The field called "Other requirements" contains three types of entry:

The field called "JECFA" contains the number of the meeting at which the specifications were prepared and the status of the specification. R means "specifications revised", S means "existing specifications maintained", S,T means "existing tentative specifications maintained, (further information required)", N means "new specifications", N,T means "new tentative specifications, (further information required)", and N,C means "new specifications for a flavouring agent with a conditional safety evaluation". In Section A of this document further information on the conditional safety evaluation and its implications are given.

The last column indicates the data (information) required for the tentative specifications. Abbreviations for "data required" are as follows: A=assay minimum, A(e)=equivalence factor for assay, A(m)=details of assay method, BP=boiling point, ID=identity test, Low assay=quantitative information on by-products, RI=refractive index, SG=specific gravity. A(e) is an equivalence factor to convert an assay obtained by aldehyde/ketone determination, ester determination, total alcohols determination, or titration determination to the % value which would be obtained if GC had been used for the assay (FNP 5).

The infrared and other spectra, used for identification and comparison purposes, are provided from page 71 onwards (copies for certain spectra may be obtained from the FAO Joint Secretariat in Rome or from FEMA, Suite 925, 1620 I Street, N.W., Washington DC, USA).

A comprehensive index listing all names, chemical names, and synonyms is added on page 90.

Note on spectra: only spectra which were submitted to the 65th meeting are reproduced in this volume. The reader is referred to previous Addenda for copies of spectra of revised specifications.


No

Name chemical name/synonyms

FEMA/FL/CAS numbers

Formula M.W.

Physical form/odour

Solubility/solubility in ethanol

B.P. (°C)

ID test/assay min

A.V.

Ref. index/Sp. gravity

Other requirements

JECFA

Data required

631.2

3-Methyl-2-oxobutanoic acid, sodium salt
Sodium 3-methyl-2-oxobutyrate
Sodium, alpha-ketoisovalerate; Butanoic acid, 3-methyl-2-oxo-, sodium salt; Sodium 3-methyl-2-oxobutanoate

3869
08.051
3715-29-6

C5 H7 O3 Na
138.10

-

-

n/a

NMR
99

-

n/a
n/a

Assay by hplc using an ion exchange column

65th/R,T

A(m)

632.2

3-Methyl-2-oxopentanoic acid, sodium salt Sodium 3-methyl-2-oxovalerate Valeric acid, 3-methyl-2-oxo-, sodium salt

3870
08.093
3715-31-9

C6 H9 O3 Na
152.10

-

-

n/a

NMR
99

-

n/a
n/a

Assay by hplc using an ion exchange column

65th/R,T

A(m)

633.2

4-Methyl-2-oxopentanoic acid, sodium salt Sodium 4-methyl-2-oxovalerate Valeric acid, 4-methyl-2-oxo, sodium salt; Sodium 4-methyl-2-ketopentanoate; Sodium 4-methyl-2-oxopentanoate

3871
08.052
4502-00-5

C6 H9 O3 Na
152.10

-

-

n/a

NMR
99

-

n/a
n/a

Assay by hplc using an ion exchange column

65th/R,T

A(m)

1479

Sodium 2-oxo-3-phenylpropionate Sodium 2-oxo-3-phenylpropionate Sodium 3-phenylpyruvate

3892
114-76-1

C9 H7 O3 Na
188.14

-

-

n/a

NMR
97

-

n/a
n/a

Assay by hplc

65th/R,T

A(m)

1480

Maltol 3-Hydroxy-2-methyl-4-pyrone 2-Methylpyromeconic acid; 3-Hydroxy-2-methyl-4-pyrone; Larixinic acid; INS No.636

2656
07.014
118-71-8

C6 H6 O3
126.11

White crystalline powder
Caramel-butterscotch aroma

Very slightly soluble in water, ether
Soluble

-

NMR
98%

-

-
-

mp: 159-162°; Complies with purity criteria for Maltol in FNP52

65th/N


148

Ethyl maltol 2-Ethyl-3-hydroxy-4-pyrone 2-Ethyl-3-hydroxy-4-pyrone; 2-Ethyl-3-hydroxy-4H-pyran-4-one; 2-Ethylpyromeconic acid;; INS No.637

3487
07.047
4940-11-8

C7 H8 O3
140.14

White crystalline powder
Sweet fruit-like aroma

Soluble in water, propylene glycol; Slightly soluble in glycerine
Soluble

-

NMR
99%

-

-
-

mp: 89-93°; Complies with purity criteria for Ethyl maltol in FNP52

65th/N


1482

Maltyl isobutyrate 2-Methyl-4H-pyran-4-one-3-yl 2-methylpropanoate 2-Methyl-4-oxo-4H-pyran-3-yl isobutyrate; Maltyl 2-methylpropanoate; 2-Methyl-4-pyron-3-yl 2-methylpropanoate

3462
09.525
65416-14-0

C10 H12 O4
196.20

Colourless to yellow liquid
Strawberry aroma

Insoluble in water; Soluble in propylene glycol and fixed oils
Soluble

100° (0.01 mm Hg)

IR
96%

10.0

1.493-1.501
1.140-1.153


65th/N,T

SG range

1483

2-Methyl-3-(1-oxopropoxy)-4H-pyran-4-one
2-Methyl-4H-pyran-4-one-3-ylpropionate
Maltol propionate; Veltol propionate

3941
68555-63-5

C9 H10 O4
182.17

White crystalline solid
Caramel aroma

Insoluble in water; Soluble in fats
Soluble

-

NMR IR
98%

-

-
-

mp: 42-45°

65th/N,C


1484

2-Butyl-5- or 6-keto-1,4-dioxane
2-Butyl-5 or 6-keto-1,4-dioxane
5(or 6)-Butyl-1,4-dioxan-2-one

2204
13.028
65504-95-2

C8 H14 O3
158.20

Colourless liquid
Powerful fruity aroma

Slightly soluble in water
Soluble

98-99°
(13 mm Hg)

NMR
97%

-

1.472-1.478 1.292-1.296

[Lactone undergoes ringopeningin basic solution]

65th/N


1485

2-Amyl-5 or 6-keto-1,4-dioxane
2-Pentyl-5 or 6-keto-1,4-dioxane
5(or 6)-Pentyl-1,4-dioxan-2-one

2076
13.027
65504-96-3

C9 H16 O3
172.22

Colourless liquid
Fruity-winey aroma

Slightly soluble in water
Soluble

101-103°
(15 mm Hg)

NMR
97%

-

1.480-1.486 1.288-1.294

[Lactone undergoes ringopeningin basic solution]

65th/N


1486

2-Hexyl-5 or 6-keto-1,4-dioxane
2-Hexyl-5 or 6-keto-1,4-dioxane
5(or 6)-Hexyl-1,4-dioxan-2-one; (1 or 2-Hexyl-2-hydroxyethoxy)acetic acid, d-lactone

2574
65504-97-4

C10 H18 O3 186.25

Colourless or very pale yellow liquid
Powerful sweet, nut-like aroma

Slightly soluble in water; Soluble in oil
Soluble

104°
(15 mm Hg)

NMR
97%

-

1.486-1.492 1.280-1.286

[Lactone undergoes ringopeningin basic solution]

65th/N


1487

2-Methylfuran
2-Methylfuran
alpha-Methylfuran; 5-Methylfuran

4179
13.030
534-22-5

C5 H6 O
82.10

Colourless liquid
Spicy smoky aroma

Slightly soluble in water
Soluble

64°

NMR IR MS
97%

1.0

1.431-1.437 0.908-0.917


65th/N


1488

2,5-Dimethylfuran
2,5-Dimethylfuran

4106
625-86-5

C6 H8 O
96.13

Colourless liquid
Spicy smoky aroma

Slightly soluble in water
Soluble

93°

NMR IR MS
95%

1.0

1.437-1.443 0.892-0.898


65th/N


1489

2-Ethylfuran
2-Ethylfuran
2-Ethyloxole

3673
13.092
3208-16-0

C6 H8 O
96.13

Colourless liquid
Powerful, smoky burnt aroma

Insoluble in water; Soluble in oils
Soluble

92-93°

NMR
95%

1.0

1.444-1.450 0.909-0.915


65th/N


1490

2-Butylfuran
2-Butylfuran

4081
13.103
4466-24-4

C8 H12 O
124.18

Colourless liquid
Spicy aroma

Insoluble in water
Soluble

139°

MS
95%

1.0

1.444-1.450 0.884-0.890


65th/N


1491

2-Pentylfuran
2-Pentylfuran
2-Amylfuran

3317
13.059
3777-69-3

C9 H14 O
138.21

Colourless liquid
Fruity aroma

Slightly soluble in water
Soluble

58-60°
(10 mm Hg)

NMR
99%

1.0

1.443-1.449 0.886-0.893


65th/N


1492

2-Heptylfuran
2-Heptylfuran

3401
13.069
3777-71-7

C11 H18 O
166.26

Colourless to yellowish liquid
Nutty, coffee-like aroma

Insoluble in water
Soluble

209-210°

NMR
99%

1.0

1.446-1.452 0.860-0.866


65th/N


1493

2-Decylfuran
2-Decylfuran

4090
13.106
83469-85-6

C14 H24 O
208.34

Colourless solid
Spicy, fatty aroma

Insoluble in water
Soluble

-

NMR (13C)
95%

-

-

mp: 30°

65th/N


1494

3-Methyl-2-(3-methylbut-2-enyl)-furan
3-Methyl-2(3-methylbut-2-enyl)furan 2-(3-Methyl-2-butenyl)-3-methylfuran; Rosefuran

4174
13.148
15186-51-3

C10 H14 O
150.22

Colourless liquid
Caramel aroma

Slightly soluble in water
Soluble

70° (11 mm Hg)

MS
98%

1.0

1.473-1.479
0.998-1.004


65th/N


1495

2,3-Dimethylbenzofuran
2,3-Dimethylbenzofuran

3535
13.074
3782-00-1

C10 H10 O
146.19

Clear to yellow liquid
Nutty spicy aroma

Insoluble in water,
Soluble in fats Soluble

96-98° (15 mm Hg)

NMR
97%

1.0

1.554-1.563
1.031-1.037


65th/N


1496

2,4-Difurfurylfuran
2,4-Difurfurylfuran

4095
13.107
64280-32-6

C14 H14 O3
228.24

Colourless solid
Floral, fruity aroma

Insoluble in water
Soluble

-

NMR (13C)
95%

-

-

mp: 153°

65th/N


1497

3-(2-Furyl)acrolein
3-(2-Furyl)prop-2-enal
2-Furanacrolein; Furylacrolein; 3-(2-Furyl)-2-propenal; 3-(2-Furyl)acrylaldehyde

2494
13.034
623-30-3

C7 H6 O2
122.12

White or yellow needles
Cooked spicy-herb aroma

Insoluble in water
Soluble

-

NMR
97%

3.0

-

mp: 49-52°

65th/N


1498

2-Methyl-3(2-furyl)acrolein
3-(2-Furyl)-2-methylprop-2-enal
Furfurylidene-2-propanal; alpha-Methylfurylacroleine; 2-Methyl-3-(2-furyl)propenal

2704
13.046
874-66-8

C8 H8 O2
136.15

Pale yellowish liquid
Mild, warm, cinnamon-like aroma

Insoluble in water; Soluble in oils
Solube

225°

NMR
96%

3.0

1.567-1.573
1.097-1.103


65th/N


1499

3-(5-Methyl-2-furyl)prop-2-enal
3-(5-Methyl-2-furyl)prop-2-enal
(5-Methylfuryl)acrolein; 1-(5-Methyl-2-furanyl)-1-propen-3-al; 3-(5-Methyl-2-furanyl)-2-propenal; 5-Methyl-2-furanacrolein

4175
13.150
5555-90-8

C8 H8 O2
136.15

Colourless liquid
Sweet spicy aroma

Slightly soluble in water
Soluble

101° (5 mm Hg)

NMR
(13C) 95%

3.0

1.006-1.012
0.998-1.004


65th/N


1500

3-(5-Methyl-2-furyl)-butanal
3-(5-Methyl-2-furyl) butanal
3-(5-Methyl-2-furyl)-butyraldehyde

3307
13.058
31704-80-0

C9 H12 O2
152.19

Colourless liquid
Vegetable, fruity aroma

Insoluble in water; Soluble in oils
Soluble

88-91° (12 mm Hg)

NMR
98%

3.0

1.575-1.581
1.006-1.012


65th/N


1501

2-Furfurylidenebutyralde-hyde
Furfurylidene-2-butanal
2-Ethyl-3(2-furyl)acrolein; 3(2-Furyl)-2-ethylacrolein; 2-Ethyl-3(2-furyl)-2-propenal

2492
13.043
770-27-4

C9 H10 O2
150.18

Pale yellowish liquid
Mild, warm, vegetable-like aroma

Insoluble in water; Soluble in oils
Soluble

240°

NMR
98%

3.0

1.570-1.576
1.057-1.063


65th/N


1502

2-Phenyl-3-(2-furyl)prop-2-enal
3-(2-Furyl)-2-phenylprop-2-enal
2-Furfurylidenephenylacetaldehyde

3586
13.137
65545-81-5

C13 H10 O2
198.22

White solid
Berry aroma

Insoluble in water
Soluble

-

NMR
99%

-

-

mp: 56-57°

65th/N


1503

2-Furyl methyl ketone
2-Acetylfuran
2-Acetylfuran; Acetylfuran; Methyl 2-furyl ketone

3163
13.054
1192-62-7

C6 H6 O2
110.11

Yellow to brown liquid
Coffee-like aroma

Very slightly soluble in water;
Slightly soluble in propylene glycol, vegetable oils
Soluble

67° (10 mm Hg)

IR
97%

1.0

1.505-1.510
1.102-1.107


65th/N


1504

2-Acetyl-5-methylfuran
2-Acetyl-5-methylfuran
1-(5-Methyl-2-furyl) ethanone; Methyl 5-methyl-2-furyl ketone

3609
13.083
1193-79-9

C7 H8 O2
124.14

Colourless liquid
Strong, nutty aroma

Slightly soluble in water;
Soluble in corn oil
Soluble

71-72° (8 mm Hg)

NMR IR
99%

2.0

1.511-1.517
1.066-1.072 (20°)


65th/N


1505

2-Acetyl-3,5-dimethylfuran
2-Acetyl-3,5-dimethylfuran
3,5-Dimethyl-2-furyl methyl ketone

4071
22940-86-9

C8 H10 O2
138.17

Colourless liquid to solid
Sweet balsamic aroma

Insoluble in water
Soluble

195°

MS
95%

1.0

1.494-1.500
1.041-1.047

mp: 18°

65th/N


1506

3-Acetyl-2,5-dimethylfuran
3-Acetyl-2,5-dimethylfuran
2,5-Dimethyl-3-acetylfuran

3391
13.066
10599-70-9

C8 H10 O2
138.17

Clear to yellow liquid
Powerful, slightly roasted, nutty aroma

Slightly soluble in water;
Soluble in propylene glycol, most fixed oils
Soluble

83° (11 mm Hg)

NMR
99%

1.0

1.484-1.492
1.027-1.048


65th/N,T

SG range

1507

2-Butyrylfuran
2-Butyrylfuran
1-(2-Furyl)-1-butanone; 2-Furyl propyl ketone; Furyl n-propyl ketone

4083
13.105
4208-57-5

C8 H10 O2
138.17

Colourless liquid
Balsamic aroma

Insoluble in water
Soluble

195°

MS
95%

1.0

1.489-1.495
1.050-1.056


65th/N


1508

(2-Furyl)-2-propanone
1-(2-Furyl)-propan-2-one
Furyl acetone; Furfuryl methyl ketone; Methyl furfuryl ketone

2496
13.045
6975-60-6

C7 H8 O2
124.14

Liquid
Aroma suggestive of raddish

Soluble in ether, triacetin
Soluble

179-180°

NMR
97%

1.0

1.499-1.505
1.074-1.080


65th/N


1509

2-Pentanoylfuran
2-Pentanoylfuran
Butyl 2-furyl ketone; 1-(2-Furanyl)-1-pentanone

4192
13.163
3194-17-0

C9 H12 O2
152.19

Colourless liquid
Sweet caramel aroma

Slightly soluble in water
Soluble

101° (10 mm Hg)

MS
95%

1.0

1.486-1.492
1.009-1.015


65th/N


1510

1-(2-Furyl)butan-3-one
1-(2-Furyl)butan-3-one
1-(2-Furyl)-3-butanone; 4-(2-Furyl)-2-butanone; Furfurylacetone

4120
13.138
699-17-2

C8 H10 O2
138.17

Colourless solid
Spicy caramel aroma

Slightly soluble in water
Soluble

-

MS
95%

-

-

mp: 37°

65th/N


1511

4-(2-Furyl)-3-buten-2-one
4-(2-Furyl)but-3-en-2-one
Furylidene acetone; Furfural acetone

2495
13.044
623-15-4

C8 H8 O2
136.15

Colourless needle crystals
Spicy aroma

Insoluble in water
Soluble

-

NMR
98%

1.0

-

mp: 37-40°

65th/N


1512

Pentyl 2-furyl ketone
2-Hexanoylfuran
2-Furyl pentyl ketone; 2-Hexanoylfuran

3418
13.070
14360-50-0

C10 H14 O2
166.22

Colourless to yellow liquid
Apricot, peach-like aroma

Slightly soluble in water
Soluble

65-67° (0.5 mm Hg)

NMR
99%

1.0

1.490-1.496
0.992-0.998


65th/N


1513

Ethyl 3-(2-furyl)propanoate
Ethyl 3(2-furyl)propionate
Ethyl 2-furanpropionate; Ethyl furfurylacetate; Ethyl furylpropionate

2435
13.022
10031-90-0

C9 H12 O3
168.19

Low melting solid, turning yellow on exposure to air
Fruity aroma

Very slightly soluble in water
Soluble

-

NMR
95%

5.0

-

mp: 24-25°

65th/N


1514

Isobutyl 3-(2-furan)pro-pionate
2-Methylpropyl 3-(2-furyl)propanoate
Isobutyl 2-furanpropionate; Isobutyl furylpropionate; Isobutyl 3-(2-furyl)propanoate

2198
13.024
105-01-1

C11 H16 O3
196.25

Colourless to pale, straw-yellow liquid
Fruity, winey, brandy-like aroma

Very slightly soluble in water
Soluble

105 (3 mm Hg)

NMR
96%

5.0

1.531-1.537
1.007-1.013


65th/N


1515

Isoamyl 3-(2-furan)pro-pionate
3-Methylbutyl 3-(2-furan)propanoate
Isoamyl 2-furanpropionate; 3-Methylbutyl 3(2-furyl)propionate; 2-Isoamyl furfurylacetate

2071
13.023
7779-67-1

C12 H18 O3
210.27

Colourless to pale yellow liquid
Sweet, green, slightly floral aroma

Insoluble in water
Soluble

258°

NMR
96%

5.0

1.549-1.557
0.987-0.993


65th/N


1516

Isoamyl 4-(2-furan)butyrate
3-Methylbutyl 4-(2-furan)butanoate
Isopentyl 2-furanbutyrate; alpha-Isoamyl furfurylpropionate; 3-Methylbutyl 2-furanbutyrate

2070
13.021
7779-66-0

C13 H20 O3
224.30

Pale yellowish liquid
Sweet-buttery, fruityand caramel-like aroma

Insoluble in water
Soluble

263-265°

NMR
95%

5.0

1.551-1.555
0.975-0.981


65th/N


1517

Phenethyl 2-furoate
Phenethyl 2-furoate
2-Phenylethyl 2-furoate; Phenylethyl 2-furoate

2865
13.006
7149-32-8

C13 H12 O3
216.24

Colourless liquid
Warm, fruity-caramel, slightly earthy, oily aroma

Insoluble in water; Soluble in oils
Soluble

275°

NMR
96%

5.0

1.585-1.593
1.136-1.142


65th/N


1518

Propyl 2-furanacrylate
Propyl 3(2-furyl)prop-2-enoate
Propyl 3-(2-furyl)acrylate; 2-Propenoic acid, 3-(2-furanyl)-, propyl ester

2945
13.047
623-22-3

C10 H12 O3
180.20

Colourless to pale yellow liquid
Light strawberry, pear-like aroma

Insoluble in water
Soluble

119° (7 mm Hg)

NMR
97%

5.0

1.520-1.526
1.071-1.077 (20°)


65th/N


1519

2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate
4-Butyroxy-2,5-dimethyl-3(2H)-furanone

3970
114099-96-6

C10 H14 O4
198.22

Colourless to pale yellow liquid
Spicy, sweet aroma

Insoluble in water
Soluble

287°

NMR
93%

5.0

1.467-1.473
1.095-1.103

SC: 4-Hydroxy-2,5-dimethylfuran-3-one; Butyric acid

65th/N


1520

Furfuryl methyl ether
Furfuryl methyl ether
Methyl furfuryl ether

3159
13.052
13679-46-4

C6 H8 O2
112.13

Clear to yellow liquid
Airy, roasted coffee aroma

Insoluble in water; Soluble in ether
Soluble

134-135°

NMR
99%

1.0

1.454-1.460
1.013-1.019


65th/N


1521

Ethyl furfuryl ether
Ethyl furfuryl ether
Furfuryl ethyl ether

4114
13.123
6270-56-0

C7 H10 O2
126.15

Colourless liquid
Sweet, spicy aroma

Slightly soluble in water
Soluble

150°

MS
95%

1.0

1.449-1.455
0.982-0.988


65th/N


1522

Difurfuryl ether
Difurfuryl ether
Furfuryl ether

3337
13.061
4437-22-3

C10 H10 O3
178.19

Colourless to yellow liquid
Coffee-like, nutty aroma

Insoluble in water
Soluble

88-89° (1 mm Hg)

NMR
97%

1.0

1.138-1.144
1.506-1.512


65th/N


1523

2,5-Dimethyl-3-furanthiol acetate
2,5-Dimethyl-3-thioacetoxyfuran
S-(2,5-Dimethyl-3-furyl) ethanethioate; 2,5-Dimethyl-3-thioacetoxyfuran; Thioacetic acid S-(2,5-dimethyl-furan-3-yl) ester

4034
13.116
55764-22-2

C8 H10 O2 S
170.23

Colourless liquid
Fruity floral aroma

Practically insoluble in water and hexane; Soluble in ether
Soluble

230°

IR MS NMR
98%

5.0

1.527-1.533
1.137-1.143


65th/N


1524

Furfuryl 2-methyl-3-furyl disulfide
Furfuryl 2-methyl-3-furyl disulfide
3-[2-Furanylmethyl)dithio]-2-methylfuran; 2-Methyl-3-[(2-furanylmethyl)-dithio]furan; (2-Methyl-3-furyl)furfuryl disulfide; 3-(Furfuryldithio)-2-ethylfuran

4119
109537-55-5

C10 H10 O2
S2 226.32

Colourless liquid
Strong, sulfurous aroma

Slightly soluble in water; Soluble in pentane, diethyl ether
Soluble

294°

IR NMR
90%

3.0

1.581-1.587
1.277-1.283

SC: Di-(2-methyl-3-furyl) disulfide

65th/N


1525

3-[(2-Methyl-3-furyl)thio]-2-butanone
3-((2-Methyl-3-furyl)thio)-2-butanone
3-[(2-Methyl-3-furyl)sulfanyl]-2-butanone; 3-[(2-Methyl-3-furanyl)sulfanyl]-2-butanone; 3-(2-methyl-3-furylthio)-2-butanone

4056
13.190
61295-44-1

C9 H12 O2 S 184.25

Colourless liquid
Spicy, floral aroma

Soluble in ethyl acetate, triacetin, Practically insoluble in water
Soluble

70° (0.75 mm Hg)

NMR MS
99%

1.0

1.510-1.516
1.104-1.110


65th/N


1526

O-Ethyl S-(2-furylmethyl)thiocarbonate
O-Ethyl S-(2-furylmethyl)thiocarbonate
O-Ethyl S-(furan-2-ylmethyl) thiocarbonate; O-Ethyl S-(2-furanylmethyl)thiocarbonate; Ethoxy carbonyl furfurylthiol

4043
376595-42-5

C8 H10 O3 S
186.23

Colourless liquid
Spicy, floral aroma

Practically insoluble in water; Soluble in diether ether, ethyl acetate
Soluble

130-135°

NMR IR MS
99%

5.0

1.504-1.510
1.167-1.173


65th/N


1527

4-Allylphenol
4-Allylphenol
4-(2-Propenyl)phenol; p-Hydroxyallylbenzene; Chavicol

4075
04.058
501-92-8

C9 H10 O
134.18

Colourless liquid
Medicinal phenolic aroma

Insoluble in water
Soluble

235°

NMR
95%

1.0

1.542-1.548
1.017-1.023


65th/N,C


1528

2-Methoxy-6-(2-propenyl)phenol
2-Allyl-6-methoxyphenol
o-Eugenol

579-60-2

C10 H12 O2
164.20

Colourless to pale yellow liquid
Spicy aroma

Slightly soluble in water; Soluble in ether, most fixed oils
Soluble

119-121° (12 mm Hg)

NMR
98%

1.0

1.535-1.541
1.065-1.071


65th/N,C


1529

Eugenol
4-Allyl-2-methoxyphenol
1-Hydroxy-2-methoxy-4-propenylbenzene; 2-Methoxy-4-allylphenol; Allylguaiacol

2467
04.003
97-53-0

C10 H12 O2
164.20

Colourless to pale yellow liquid
Aroma of cloves

Slightly soluble in water; Soluble in ether, most fixed oils
Soluble

256°

IR
98%

1.0

1.540-1.542
1.064-1.070


65th/R


1530

Eugenyl formate
4-Allyl-2-methoxyphenyl formate
Eugenol formate; 4-(2-Propen-1-yl)-2-methoxyphenyl formate

2473
09.088
10031-96-6

C11 H12 O3
192.21

Colourless to pale-yellowish oily liquid
Warm, woody, dry aroma

Insoluble in water; Soluble in oils
Soluble

270°

NMR
94%

1.0

1.524-1.526
1.115-1.125

SC: Eugenol

65th/N


1531

Eugenyl acetate
4-Allyl-2-methoxyphenyl acetate
Acetyl eugenol; Eugenol acetate

2469
09.020
93-28-7

C12 H14 O3
206.24

Fused solid, melts at warm room temperature to a pale yellow liquid
Mild clove aroma

Insoluble in water; Soluble in ether, fixed oils
Soluble

282°

IR
98%

1.0

1.514-1.522
(supercooled liquid)
1.077-1.082
(supercooled liquid)

mp: 25°

65th/N


1532

Eugenyl isovalerate
4-Allyl-2-methoxyphenyl 3-methylbutanoate
4-Allyl-2-methoxyphenyl isovalerate

4118
09.878
61114-24-7

C15 H20 O3
248.32

White solid
Fruity clovelike aroma

Insoluble in water
Soluble

-

NMR
99%

-

-

mp: 85°

65th/N,C


1533

Eugenyl benzoate
4-Allyl-2-methoxyphenyl benzoate
Benzoyl eugenol; Eugenol benzoate

2471
09.766
531-26-0

C17 H16 O3
268.31

Colourless crystalline solid
Balsamic aroma with and undertone reminiscent of clove

Insoluble in water; Soluble in oils
Soluble

-

NMR
97%

-

-

mp: 69-70°

65th/N


1534

Methyl anthranilate
Methyl 2-aminobenzoate
o-Amino methyl benzoate; Methyl o-aminobenzoate

2682
09.715
134-20-3

C8 H9 N O2
151.17

Colourless to pale yellow liquid or crystals with bluish fluorescence
Grape-like or orange aroma

Soluble in oils and propylene glycol; Insoluble in glycerol; Slightly soluble in water Soluble

256°

IR
98%

1.0

1.581-1.585
(supercooled liquid)
1.161-1.169


65th/R


1535

Ethyl anthranilate
Ethyl 2-aminobenzoate
Ethyl o-aminobenzoate

2421
09.716
87-25-2

C9 H11 N O2
165.19

Colourless to light yellow liquid
Pleasant aroma resembling orange

Slightly soluble in water; Soluble in propylene glycol and fixed oils Soluble

267°

IR
96%

1.0

1.563-1.566
1.115-1.120


65th/N


1536

Butyl anthranilate
Butyl 2-aminobenzoate
Butyl o-aminobenzoate; n-Butyl anthranilate

2181
09.717
7756-96-9

C11 H15 N O2
193.25

A colourless or very pale straw-Coloured liquid
Mild sweet, fruity, floral aroma

Insoluble in water; Soluble in oils
Soluble

303°

NMR
96%

1.0

1.539-1.545
1.067-1.073


65th/N


1537

Isobutyl anthranilate
2-Methylpropyl 2-aminobenzoate Isobutyl
2-aminobenzoate; Isobutyl o-aminobenzoate

2182
09.718
7779-77-3

C11 H15 N O2
193.25

Colourless to pale yellow liquid
Faint orange blossom-like aroma

Insoluble in water; Soluble in oils
Soluble

169-170° (13.5 mm Hg)

NMR
96%

1.0

1.534-1.540
1.057-1.063


65th/N


1538

cis-3-Hexenyl anthranilate
(Z)-3-Hexenyl 2-aminobenzoate

3925
65405-76-7

C13 H17 N O2
219.29

Colourless liquid
Fruity aroma reminiscent of grape

Insoluble in water; Soluble in fats
Soluble

160° (5 mm Hg)

NMR IR
98%

2.0

1.545-1.554
1.047-1.054


65th/N,C


1539

Citronellyl anthranilate
3,7-Dimethyloct-6-enyl 2-aminobenzoate

4086
68555-57-7

C17 H25 N O2
275.40

Colourless liquid
Rose, fruity aroma

Insoluble in water
Soluble

160° (0.1 mm Hg)

NMR
96%

1.0

1.531-1.537
1.001-1.007


65th/N,C


1540

Linalyl anthranilate
1,5-Dimethyl-1-vinylhex-4-enyl 2-aminobenzoate
3,7-Dimethyl-1,6-octadien-3-yl anthranilate; Linalyl 2-aminobenzoate; Linalyl o-aminobenzoate

2637
09.721
7149-26-0

C17 H23 N O2
273.38

Pale straw-coloured oily liquid
Gardenia-like aroma

Insoluble in water; Soluble in dimethyl sulphoxide
Soluble

370-371°

NMR
95%

2.0

1.516-1.522
1.052-1.058 (15.5°)


65th/N


1541

Cyclohexyl anthranilate Cyclohexyl 2-aminobenzoate

2350
09.722
7779-16-0

C13 H17 N O2
219.29

Pale yellow liquid
Faint, fruity, orangeblossom-like aroma

Insoluble in water
Soluble

318°

NMR
97%

1.0

1.571-1.577
1.015-1.021


65th/N


1542

beta-Terpinyl anthranilate
p-Menth-1-en-8-yl 2-aminobenzoate
p-Menth-1-en-8-yl anthranilate; p-Menth-1-en-8-yl 2-aminobenzoate; Terpinyl 2-aminobenzoate

3048
09.724
14481-52-8

C17 H23 N O2
273.38

Colourless to yellow liquid
Complex fruity aroma

Insoluble in water; Soluble in fats
Soluble

365°

NMR
95%

2.0

1.480-1.486
1.052-1.058 (15.5°)


65th/N


1543

Phenylethyl anthranilate
2-Phenylethyl 2-aminobenzoate
2-Phenylethyl anthranilate; beta-Phenethyl o-aminobenzoate; Phenethyl anthranilate

2859
09.723
133-18-6

C15 H15 N O2
241.29

Fused, colourless to pale yellow-amber crystaline mass
Neroli, grape undertone

Insoluble in water
Soluble

-

IR
98%

-

-

mp: 40°

65th/N


1544

beta-Naphthyl anthranilate
Napth-2-yl 2-aminobenzoate
2-Naphthyl o-aminobenzoate; 2-Naphthyl anthranilate

2767
09.801
63449-68-3

C17 H13 N O2
263.30

Colourless to pale straw
Coloured liquid Mild floral aroma

Insoluble in water
Soluble

340°

NMR
98%

2.0

1.531-1.539
1.300-1.308


65th/N


1545

Methyl N-methylanthranilate
Methyl N-methyl-2-aminobenzoate
Dimethyl anthranilate; 2-Methylamino methyl benzoate; Methyl 2-methylaminobenzoate

2718
09.781
85-91-6

C9 H11 N O2
165.19

Pale yellow liquid with bluish fluorescence
Grape-like aroma

Insoluble in water; Slightly soluble in glycerol; Soluble in oils
Soluble

256°

NMR
98%

1.0

1.577-1.583
1.124-1.132


65th/R


1546

Ethyl N-methylanthranilate
Ethyl N-methyl-2-aminobenzoate
Ethyl 2-(methylamino)benzoate

4116
09.765
35472-56-1

C10 H13 N O2
179.22

Yellowish solid
Fruity mandarin type aroma

Very slightly soluble in water
Soluble

-

NMR
95%

1.0

-


mp: 36°

65th/N,C

1547

Ethyl N-ethylanthranilate
Ethyl N-ethyl-2-aminobenzoate
Ethyl o-(ethylamino)benzoate

4115
09.764
38446-21-8

C11 H15 N O2
193.25

Yellowish solid
Fruity grape aroma

Very Slightly soluble in water
Soluble

-

NMR
95%

1.0

-


mp: 74°

65th/N,C

1548

Isobutyl N-methylanthrani-late
2-Methylpropyl N-methyl-2-aminobenzoate
Isobutyl 2-(methylamino)benzoate

4149
09.769
65505-24-0

C12 H17 N O2
207.27

Yellowish solid
Fruity grapefruit aroma

Very slightly soluble in water
Soluble

-

NMR
95%

1.0

-


mp: 70°

65th/N,C

1549

Methyl N-formylanthranilate
Methyl N-formyl-2-aminobenzoate
Methyl 2-(formylamino)benzoate

4171
09.650
41270-80-8

C9 H9 N O3
179.18

Yellowish solid
Fruity grape type aroma

Slightly soluble in water
Soluble

-

NMR
95%

2.0

-


mp: 53°

65th/N,C

1550

Methyl N-acetylanthranilate
Methyl N-acetyl-2-aminobenzoate
Methyl 2-(acetylamino)benzoate; Methyl 2-acetamidobenzoate; o-Acetamidobenzoic acid methyl ester

4170
09.649
2719-08-6

C10 H11 N O3
193.20

White to light yellow crystals
Fruity grape aroma

Slightly soluble in water
Soluble

-

NMR
95%

-

-

mp: 98-101°

65th/N,C


1551

Methyl N,N-dimethylanthranilate
Methyl N,N-dimethyl-2-aminobenzoate
Methyl 2-(dimethylamino)benzoate

4169
09.648
10072-05-6

C10 H13 N O2
179.22

Yellowish liquid to solid
Fruity orange leaf type aroma

Very slightly soluble in water
Soluble

141° (15 mm Hg)

NMR
95%

1.0

1.551-1.557
1.093-1.099

mp: 18°

65th/N,C


1552

N-Benzoylanthranilic acid
2-(Benzoylamino)benzoic acid
2-Benzoylaminobenzoic acid; Dianthramid B; 2'-Carboxybenzanilide; N-(2-Carboxyphenyl)benzamide

4078
579-93-1

C14 H11 N O3
241.25

White solid fruity aroma

Slightly soluble in water
Soluble

-

NMR IR MS
99%

3.0

-

mp: 183°

65th/N,C


1553

Trimethyloxazole Trimethyloxazole
2,4,5-Trimethyloxazole

13.169
20662-84-4

C6 H9 N O
111.14

Yellowish liquid
Boiled beef aroma

Insoluble in water
Soluble

134°

NMR
95%

-

1.438-1.446
0.956-0.964


65th/N,C


1554

2,5-Dimethyl-4-ethyloxazole
2,5-Dimethyl-4-ethyloxazole
4-Ethyl-2,5-dimethyloxazole

13.118
30408-61-8

C7 H11 N O
125.17

Yellowish liquid
Burnt roasted aroma

Insoluble in water
Soluble

150°

NMR
95%

-

1.441-1.447
0.957-0.963


65th/N,C


1555

2-Ethyl-4,5-dimethyloxazole
4,5-Dimethyl-2-ethyloxazole

3672
13.091
53833-30-0

C7 H11 N O
125.17

Colourless liquid
Burnt roasted aroma

Insoluble in water; Slightly soluble in oils
Soluble

137° (732 mm Hg)

NMR
99%

-

1.454-1.460
1.474-1.480


65th/N,C


1556

2-Isobutyl-4,5-dimethyl-oxazole
2-Isobutyl-4,5-dimethyloxazole

26131-91-9

C9 H15 N O
153.22

Yellowish liquid
Burnt roasted aroma

Insoluble in water
Soluble

227°

NMR
95%

-

1.439-1.447
0.910-0.916


65th/N,C


1557

2-Methyl-4,5-benzo-oxazole
2-Methyl-4,5-benzo-oxazole
2-Methylbenzoxazole; 2-Methylbenzoxazol

13.154
95-21-6

C8 H7 N O
133.15

Yellowish liquid
Roast burnt aroma

Insoluble in water
Soluble

199°

NMR
95%

-

1.544-1.550
1.109-1.115


65th/N,C


1558

2,4-Dimethyl-3-oxazoline
2,4-Dimethyl-3-oxazoline

13.115
77311-02-5

C5 H9 N O
99.13

Yellowish liquid
Boiled beef aroma

Insoluble in water
Soluble

141°

NMR
95%

-

1.431-1.437
1.002-1.008


65th/N,C


1559

2,4,5-Trimethyl-delta-3-oxazoline
2,4,5-Trimethyl-delta-3-oxazoline
2,4,5-Trimethyl-2,5-dihydrooxazole

3525
13.039
22694-96-8

C6 H11 N O
113.16

Yellow orange liquid
Powerful, musty, slight green, wood, nut aroma

Soluble in water, propylene glycol; Insoluble in most fixed oils
Soluble

96-97°

NMR
94%

-

1.414-1.435
0.911-0.932

SC: Trimethyloxazole

65th/N,T

RI range; SG range

1560

Allyl isothiocyanate
Allyl isothiocyanate
Allyl isosulfocyanate; Allyl thiocarbonimide; 2-Propenyl isothiocyanate

2034
12.025
57-06-7

C4 H5 N S
99.15

Colourless or pale yellow liquid
Very pungent, irritating aroma

Slightly soluble in water; Soluble in ether
Soluble

150-151°

IR
98%

1.0

1.524-1.531
1.013-1.020


65th/N


1561

Butyl isothiocyanate
Butyl isothiocyanate
Butyl mustard oil

4082
12.107
592-82-5

C5 H9 N S
115.20

Yellowish liquid
Strong irritating green aroma

Insoluble in water
Soluble

167°

NMR
95%

1.0

1.492-1.498
0.952-0.958


65th/N,C


1562

Benzyl isothiocyanate
Benzyl isothiocyanate
Benzyl mustard oil

12.102
622-78-6

C8 H7 N S
149.21

Pale yellowish liquid
Strong penetrating aroma

Insoluble in water
Soluble

243°

NMR
97%

1.0

1.600-1.606
1.121-1.127


65th/N,C


1563

Phenethyl isothiocyanate
Phenethyl isothiocyanate
Isothiocyanic acid, phenethyl ester; beta-Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate

4014
12.193
2257-09-2

C9 H9 N S
163.24

Nearly Colourless liquid
Strong green irritating aroma

Insoluble in water; Soluble in triacetin and heptane
Soluble

139-140°

NMR IR MS
99%

1.0

1.586-1.590
1.087-1.097


65th/N,C


1564

3-Methylthiopropyl isothiocyanate
3-(Methylthio)propyl isothiocyanate
3-Methylmercaptopropyl isothiocyanate

3312
12.030
505-79-3

C5 H9 N S2
147.26

Colourless to yellow liquid
Raddish-like, irritating aroma

Insoluble in water
Soluble

254°

NMR
98%

1.0

1.560-1.566
1.099-1.105


65th/N


1565

4-Acetyl-2-methylpyrimidine
4-Acetyl-2-methylpyrimidine

3654
14.070
67860-38-2

C7 H8 N2 O
136.15

Colourless liquid
Burnt meaty aroma

Slightly soluble in water; Soluble in fats
Soluble

87-89° (10 mm Hg)

NMR
99%

1.0

1.501-1.507
1.096-1.102


65th/N


1566

5,7-Dihydro-2-methyl-thieno(3,4-d)pyrimidine
5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine

3338
14.014
36267-71-7

C7 H8 N2 S
152.22

Solid
Meaty roasted aroma

Very slighlty soluble in water
Soluble -


NMR
98%

-

-

mp: 64°

65th/N


1568

1-Phenyl-3 or 5-propyl-pyrazole
1-Phenyl-(3 or 5)-propylpyrazole
1-Phenyl-3 or 5-propyl-1,2-diazole

3727
14.029
65504-93-0

C12 H14 N2
190.24

Colourless to yellow liquid
Roasted, cooked aroma

Insoluble in water
Soluble

182-193°

NMR
96%

-

1.428-1.436
1.078-1.081


65th/N


1569

4,5-Dimethyl-2-propyloxazole
4,5-Dimethyl-2-propyloxazole
2-Propyl-4,5-dimethyl oxazole

13.112
53833-32-2

C8 H13 N O
139.20

Yellowish solid
Roasted burnt aroma

Slightly soluble in water
Soluble

-

NMR
95%

-

-
-

mp: 59°

65th/N,C


1570

4,5-Epoxy-(E)-2-decenal
4,5-Epoxydec-2(trans)-enal
3-(3-Pentyloxiran-2-yl) prop-(E)-2-enal

4037
16.071
188590-62-7

C10 H16 O2
168.23

Clear liquid
Floral, fruity aroma

Soluble in water
Soluble

80-83° (0.65 mm Hg)

NMR IR
87% (trans isomer)

3.0

1.472-1.478
0.943-0.949

SC: cis isomer

65th/N,C


1571

beta-Ionone epoxide
4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one
beta-Ionone 5,6-epoxide; 4-(1,2-Oxido-2,6,6-trimethylcyclohexyl)-3-buten-2-one; 4-(2,6,6-Trimethyl-1,2-epoxycyclohexyl)-3-buten-2-one

4144
07.170
23267-57-4

C13 H20 O2
208.30

Colourless solid
Sweet berry aroma

Insoluble in water
Soluble

-

NMR MS
95%

-

-

mp: 48°

65th/N,C


1572

cis-Carvone-5,6-oxide
5,6-Epoxy-p-menth-8-en-2-one
cis-Carvone oxide

4084
16.042
18383-49-8

C10 H14 O2
166.22

Colourless liquid
Sweet spicy aroma

Insoluble in water
Soluble

105° (5 mm Hg)

NMR MS
95%

1.0

1.481-1.487
1.027-1.033


65th/N


1573

Epoxyoxophorone
2,3-Epoxy-2,6,6-trimethyl-1,4-cyclohexanedione
3,5,5-Trimethyl-2,3-epoxycyclohexane-1,4-dione

4109
16.051
38284-11-6

C9 H12 O3
168.19

Colourless solid
Sweet camphourous aroma

Insoluble in water
Soluble

-

NMR
95%

-

-

mp: 157°

65th/N,C


1574

Piperitenone oxide
1,2-Epoxy-p-menth-4(8)-en-3-one
(1S)-Lippione; (+)-Rotundifolone

4199
16.044
35178-55-3

C9 H14 O2
166.22

Colourless solid
Herbaceous minty aroma

Soluble in water
Soluble

-

NMR MS
95%

1.0

-

mp: 25°

65th/N


1575

beta-Caryophyllene oxide
4,5-Epoxy-4,12,12-trimethyl-8-methylene-bicyclo[8.2.0]dodecane
Caryophyllene oxide; Caryophyllene epoxide

4085
16.043
1139-30-6

C15 H24 O
220.36

Colourless solid
Sweet fruity aroma

Insoluble in water
Soluble

-

NMR MS
95%

-

-

mp: 61°

65th/N


1576

Ethyl 3-phenylglycidate
Ethyl 3-phenyl-2,3-epoxypropionate
Ethyl phenylglycidate; Ethyl alpha,beta-epoxy-beta-phenylpropionate

2454
16.018
121-39-1

C11 H12 O3
192.21

Clear, Colourless to pale yellow liquid
Strong fruity aroma suggestive of strawberry

Insoluble in water; Soluble in ether, oils
Soluble

96° (0.5 mm Hg)

IR
98%

2.0

1.516-1.521
1.120-1.125


65th/R


1577

Ethyl methylphenylglycidate
Ethyl 2,3-epoxy-3-methyl-3-phenylbutanoate
Ethyl 3-methyl-3-phenylglycidate; Strawberry aldehyde

2444
16.015
77-83-8

C12 H14 O3
206.24

Colourless to pale yellow liquid
Strong fruity aroma suggestive of strawberry

Insoluble in water, glycerol; Soluble in propylene glycol, fixed oils
Soluble

272-275°

IR
98%

2.0

1.504-1.513
1.086-1.096


65th/R


1578

Ethyl methyl-p-tolylglycidate
Ethyl 2,3-epoxy-3-(4-methylphenyl)butanoate
Ethyl methyl-p-methylphenylglycidate

3757
16.040
74367-97-8

C13 H16 O3
220.27

Colourless or pale straw
Coloured viscous liquid
Mild deep fruity, slightly floral aroma

Insoluble in water; Soluble in ether, oils
Soluble

123-125°

NMR
96%

2.0

1.523-1.529
1.081-1.087 (20°)


65th/N


1579

Ethylamine
Ethylamine
1-Aminoethane

4236
11.015
75-04-7

C2 H7 N
45.08

Colourless to yellow gas
Ammonia fishy aroma

Soluble in water
Soluble

17°

MS
95%

-

-
0.682-0.686 (10°)

mp: -81°

65th/N,C


1580

Propylamine
Propylamine
1-Aminopropane; Monopropylamine

4237
11.004
107-10-8

C3 H9 N
59.11

Colourless to yellow liquid
Aggressive ammonia aroma

Soluble in water
Soluble

48°

MS
95%

-

1.384-1.390
0.714-0.720


65th/N,C


1581

Isopropylamine
2-Aminopropane
1-Amino-2-methylethane; 1-Methylethylamine; 2-Propylamine

4238
11.018
75-31-0

C3 H9 N
59.11

Colourless to yellow liquid
Fishy ammonia aroma

Soluble in water
Soluble

34°

MS
95%

-

1.367-1.373
0.687-0.693


65th/N,C


1582

Butylamine
Butylamine
1-Aminobutane; N-Butylamine

3130
11.003
109-73-9

C4 H11 N
73.14

Colourless liquid, tends to yellow on
standing Ammoniacal aroma

Soluble in water
Soluble

78°

NMR
99%

-

1.398-1.404
0.732-0.740


65th/N


1583

Isobutylamine
2-Methylpropylamine
1-Amino-2-methylpropane

4239
11.002
78-81-9

C4 H11 N
73.14

Colourless to yellow liquid
Fishy cheesy aroma

Soluble in water
Soluble

68°

MS
95%

-

1.391-1.397
0.731-0.737


65th/N,C


1584

sec-Butylamine
1-Methylpropylamine
2-Aminobutane; 2-Butyl amine

4240
11.005
13952-84-6

C4 H11 N
73.14

Colourless to yellow liquid
Fishy ammonia aroma

Soluble in water
Soluble

63°

MS
95%

-

1.387-1.393
0.715-0.721


65th/N,C


1585

Pentylamine
Pentylamine
1-Aminopentane; Amylamine; Norleucamine

4242
11.021
110-58-7

C5 H13 N
87.16

Colourless to yellow liquid
Fishy aroma

Soluble in water
Soluble

103°

MS
95%

-

1.418-1.424
0.750-0.759


65th/N,C


1586

2-Methylbutylamine
2-Methylbutylamine
1-Amino-2-methylbutane; 2-Methyl-1-butylamine; 2-Ethylpropylamine

4241
11.020
96-15-1

C5 H13 N
87.16

Colourless to yellowish liquid
Fishy aroma

Soluble in water
Soluble

96°

MS
95%

-

1.417-1.423
0.777-0.779


65th/N,C


1587

Isopentylamine
3-Methylbutylamine
l-iso-Aminopentane; iso-Amylamine; Isobutyl Carbylamine; 3-Methylbutylamine

3219
11.001
107-85-7

C5 H13 N
87.16

Colourless or very pale straw-Coloured mobile liquid
Ammoniacal aroma

Soluble in water, propylene glycol, glycerin, oils
Soluble

95-97°

NMR
98%

-

1.405-1.411
0.747-0.753


65th/N


1588

Hexylamine
Hexylamine
1-Aminohexane

4243
11.016
111-26-2

C6 H15 N
101.19

Colourless to yellow liquid
Fishy aroma

Soluble in water
Soluble

130°

MS
95%

-

1.415-1.421
0.761-0.767


65th/N,C


1589

Phenethylamine
Phenethylamine
beta-Phenylethylamine; 2-Aminoethylbenzene; 1-Amino-2-phenylethane

3220
11.006
64-04-0

C8 H11 N
121.18

Colourless to pale, slightly yellow liquid
Fishy aroma

Soluble in water, ether
Soluble

194-195°

NMR
95%

-

1.526-1.532 (25°)
0.961-0.967


65th/N


1590

2-(4-Hydroxyphenyl)ethyl-amine
2-(4-Hydroxyphenyl)ethylamine
4-(2-Aminoethyl)phenol; p-(2-Aminoethyl)phenol; Tyramine

4215
11.007
51-67-2

C8 H11 N O
137.18

Colourless to yellow solid
Sweet meaty aroma

Soluble in water
Soluble

-

MS
95%

-


- mp: 165°

65th/N,C


1591

1-Amino-2-propanol
1-Amino-2-propanol
Isopropanol amine; alpha-Aminoisopropyl alcohol; 1-Methyl-2-aminoethanol; 2-Hydroxy-1-methylethanol

3965
78-96-6

C3 H9 N O
75.13

Colourless to faint yellow liquid
Fishy aroma

Soluble in water
Soluble

160°

NMR
95%

1.0

1.445-1.451
0.970-0.976


65th/N,C


1593

Butyramide
Butyramide
Butylamide

4252
16.049
541-35-5

C4 H9 N O
87.12

Yellowish solid
Nutty aroma

Soluble in water
Soluble

-

NMR
95%

-

-

mp: 115°

65th/N,C


1594

1,6-Hexalactam
1,6-Hexalactam
2-Azacycloheptanone; Caprolactam; Hexahydro-2H-azepin-2-one

4235
16.052
105-60-2

C6 H11 N O
113.16

Yellowish solid
Amine, spicy aroma

Soluble in water
Soluble

-

NMR
95%

-

-

mp: 70°

65th/N,C


1595

2-Isopropyl-N,2,3-trimethylbutyramide
2-Isopropyl- N,2,3-trimethylbutanamide
N,2,3-Trimethyl-2-isopropylbutanamide; Methyl diisopropyl propionamide; 6-Caprolactam

3804
16.053
51115-67-4

C10 H21 N O
171.28

White crystalline solid
Cool minty aroma

Insoluble in water and fats; Soluble in diethyl ether, and hydrocarbons
Soluble

-

NMR
99%

1.0

-

mp: 56-64°

65th/N,C


1596

N-Ethyl (E)-2,(Z)-6-nonadienamide
N-Ethyl (2E,6Z)-nonadienamide

4113
608514-56-3

C11 H19 N O
181.28

Pale yellow to yellow viscous liquid
Meaty spicy aroma

Sparingly soluble in water
Soluble

120° (0.6 mm Hg)

NMR IR MS
96%

3.0

1.484-1.493
0.910-0.920


65th/N,C


1597

N-Cyclopropyl (E)-2,(Z)-6-nonadienamide
N-Cyclopropyl (2E,6Z)-nonadienamide

4087
608514-55-2

C12 H19 N O
193.29

Pale yellow low melting solid
Meaty, Herb-like aroma

Sparingly soluble in water
Soluble

-

NMR IR
95%

-

-

mp: 33-37°

65th/N,C


1598

N-Isobutyl (E,E)-2,4-decadienamide
N-(2-Methylpropyl)-(2E,6Z)-nonadienamide
(E,E)-N-(2-Methylpropyl)-2,4-decadienamide; Pellitorin; Pellitorine

4148
18836-52-7

C14 H25 N O
223.36

Colourless off-white to yellow solid
Spicy herb-type aroma

Insoluble in water Soluble

-

NMR IR MS
95%

5.0

-

mp: 82-90°

65th/N,C


1599

Nonanoyl 4-hydroxy-3-methoxybenzylamide
N-Nonanoyl 4-hydroxy-3-methoxybenzylamide
N-(4-Hydroxy-3-methoxybenzyl) nonanamide; Pelargonyl vanillylamide; N-Nonanoyl vanillylamide

2787
16.006
2444-46-4

C17 H27 N O3
293.41

White powder or crystals odourless

Slightly soluble in water Soluble

-

NMR
96%

1.0

-

mp 124-128°

65th/N


1600

Piperine
1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine
Piperoylpiperidine

2909
14.003
94-62-2

C17 H19 N O3
285.34

Virtually colourless white crystals
Aroma reminiscent of pepper

Very slightly soluble in water; Soluble in ether, oils Soluble

-

NMR
97%

-

-

mp: 128-130°

65th/N


1601

N-Ethyl 2-isopropyl-5-methyl-cyclohexanecarboxamide
N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide
N-Ethyl-p-menthane-3-carboxamide; Ethyl menthane carboxamide

16.013
39711-79-0

C13 H25 N O
211.35

White solid
Slight menthol like cooling effect

Insoluble in water Soluble

-

NMR
98%

-

-

mp: 91-93°

65th/N


1602

(+/-)-N,N-Dimethyl menthyl succinamide
N,N-Dimethyl N'-(3-menthyl) succinamide

4231
544714-08-1

C16 H30 N2 O2
282.43

Clear yellow to orange liquid
Cool minty aroma

Slightly soluble in water Soluble

380°

IR NMR
95%

3.0

1.522-1.530
0.965-0.975


65th/N,C


1603

1-Pyrroline
1-Pyrroline
3,4-Dihydro-(2H)-pyrroline; Isopyrroline; 3,4-Dihydro-2H-pyrrole

3898
5724-81-2

C4 H7 N
69.10

Colourless liquid
Pungent ammoniacal odour

Soluble in water Soluble

87-89°

NMR
99%

1.0

1.440-1.446
0.849-0.855


65th/N,C


1604

2-Acetyl-1-pyrroline
2-Acetyl-1-pyrroline

4249
14.080
99583-29-6

C6 H9 N O
111.14

Colourless to yellow solid
Fishy aroma

Soluble in water Soluble

-

MS
95%

-

-

mp: 19°

65th/N,C


1605

2-Propionylpyrroline
2-Propionyl-1-pyrroline
1-(3,4-dihydro-2H-pyroll-5-yl)-1-propanone

4063
133447-37-7

C7 H11 N O
125.17

Yellowish liquid
Fishy aroma

Soluble in heptane, triacetin Soluble

89-90° (1 mm Hg)

NMR IR MS
95%

-

1.446-1.452
0.979-0.985

[Material is provided as a 1% solution in vegatable oil triglyceride]

65th/N,C















1606

Isopentylidene isopentylamine
N-(3-Methylbutylidene)-3-methyl-1-butylamine
N-Isoamylidene-isoamylamine; N-Isopentylideneisopentylamine

3990
11.017
35448-31-8

C10 H21 N
155.29

Clear, Colourless liquid
Fishy aroma

Insoluble in water; Soluble in heptane, triacetin
Soluble

145-148°

NMR IR MS
93%

-

-1.422-1.428 0.768-0.774

SC: Diisopentylamine; 3-Methylbutyralde-hyde

65th/N,C


1607

Piperidine
Piperidine
Hexahydropyridine; Hexazane; Pentamethylenimine

2908
14.010
110-89-4

C5 H11 N
85.15

Colourless to pale yellow liquid
Ammoniacal, fishy, nauseating aroma

Soluble in water, ether
Soluble

106°

IR
98%

-

-1.450-1.454 0.858-0.862


65th/N


1608

2-Methylpiperidine
2-Methylpiperidine
2-Pipecoline

4244
14.133
109-05-7

C6 H13 N
99.18

Colourless to yellow liquid
Pepper-like aroma

Soluble in water
Soluble

118°

MS
95%

-

-1.442-1.448 0.838-0.844


65th/N,C


1609

Pyrrolidine
Tetrahydropyrrole
Tetramethyleneamine; Azacyclopentane; Butylenimine

3523
14.064
123-75-1

C4 H9 N
71.12

Colourless liquid
Penetrating amine-type aroma

Soluble in water, fats
Soluble

87-89°

NMR IR
95%

-

-1.440-1.446 0.847-0.853


65th/N


1610

Trimethylamine
Trimethylamine

3241
11.009
75-50-3

C3 H9 N
59.11

Colourless gas
Pungent fishy odour at low concentration

Soluble in water, ether
Soluble

3-4°

NMR
98%

-

- 0.667-0.675 (4°)


65th/N


1611

Triethylamine
Triethylamine

4246
11.023
121-44-8

C6 H15 N
101.19

Colourless to yellowish liquid
Fishy aroma

Soluble in water
Soluble

88°

MS
95%

-

-1.395-1.401 0.724-0.730


65th/N,C


1612

Tripropylamine
Tripropylamine
Propyldi-n-propylamine; Tri-n-propylamine

4247
11.026
102-69-2

C9 H21 N
143.27

Colourless to fishy liquid
Mild fishy aroma

Soluble in water
Soluble

156°

MS
95%

-

-1.411-1.417 0.754-0.760


65th/N,C


1613

N,N-Dimethylphenethylamine N,N-Dimethylphenethylamine
(R)-N,N-[alpha]-Trimethylbenzylamine; (R)-N,N-Dimethyl-.alpha.-phenylethylamine

4248
11.014
19342-01-9

C10 H15 N
149.24

Colourless to yellow liquid
Sweet fishy aroma

Soluble in water
Soluble

183°

MS
95%

-

-1.500-1.506 0.898-0.904


65th/N,C


1614

Trimethylamine oxide
Trimethylamine oxide
Trimethylamine N-oxide dihydrate

4245
11.025
1184-78-7

C3 H9 N O
75.11

Colourless to yellow solid
Odourless

Soluble in water
Soluble

-

MS
95% -

-

-
-

mp: 213°

65th/N,C


1615

Piperazine
Piperazine
Hexahydropyrazine; 1,4-Diazacyclohexane; Diethylenediamine; Pyrazine hexahydride

4250
14.141
110-85-0

C4 H10 N2
86.14

Colourless to yellow solid
Salty taste

Soluble in water
Soluble

-

MS
95%

-

-

mp: 109°

65th/N,C



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