. 2022 Feb 11;20(2):e07102. doi: 10.2903/j.efsa.2021.7102

Table B.1.

Summary table on specifications data for flavouring substances in FGE.63Rev4, for chemical structures, see Appendix D

Information included in the EU Union list Regulation No (EU) 1334/2008 as amended	Most recent available specifications data ^a	EFSA Comments
02.023 1152 2805 72 3391‐86‐4	Oct‐1‐en‐3‐ol	^(b)	Liquid C₈H₁₆O 128.22	Insoluble Miscible	175–175.2 NMR 96%	1.431–1.442 0.835–0.845
02.099 1150 3584 11717 616‐25‐1	Pent‐1‐en‐3‐ol	^(b)	Liquid C₅H₁₀O 86.13	Sparsely soluble Miscible	114 NMR 98% (racemate)	1.419–1.427 0.831–0.837
02.102 1140 3602 76649‐14‐4	Oct‐3‐en‐2‐ol	^(b)	Liquid C₈H₁₆O 128.22	Insoluble Miscible	73–76 (13 hPa) IR NMR MS 95% (E)‐isomer (racemate)	1.422–1.428 0.826–0.836	The chemical name should be changed to Oct‐(3E)‐en‐2‐ol and the CAS number to 57648‐55‐2 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1 and 2)
02.104 1151 3608 10220 4798‐44‐1	Hex‐1‐en‐3‐ol	^(b)	Liquid C₆H₁₂O 100.16	Insoluble Miscible	133.5–134 NMR 98% (racemate)	1.425–1.431 0.830–0.836
02.136 1153 3824 51100‐54‐0	Dec‐1‐en‐3‐ol	^(b)	Liquid C₁₀H₂₀O 156.27	Slightly soluble Miscible	215 NMR MS 97% (racemate)	1.439–1.446 0.836–0.842
02.155 1842 4129 10218 4938‐52‐7	1‐Hepten‐3‐ol	^(b)	Liquid C₇H₁₄O 114.19	Practically insoluble or insoluble Freely soluble	155 MS 97%(racemate)	1.431–1.437 0.834–0.837
02.193 1141 3888 4798‐61‐2	Oct‐2‐en‐4‐ol	^(b)	Liquid C₈H₁₆O 128.22	Insoluble 50% Soluble in ethanol	174–176 IR NMR MS % (E)‐isomer 1–2% (Z) isomer (racemate)	1.438–1.442 0.830–0.838	The chemical name should be changed to Oct‐(2E)‐en‐4‐ol and the CAS number to 20125‐81‐9 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1 and 2)
02.252 1841 4102 67845‐50‐5	4,8‐Dimethyl‐3,7‐nonadien‐2‐ol	^(b)	Liquid C₁₁H₂₀O 168	Insoluble Soluble	70 (2.6 hPa) IR NMR 95% (racemate and mixture of E/Z stereoisomers: 50–80% (E))	1.465–1.473 0.860–0.870
07.015 1120 2707 149 110‐93‐0	6‐Methylhept‐5‐en‐2‐one	^(b)	Liquid C₈H₁₄O 126.19	Insoluble Miscible	173.1 NMR 97%	1.435–1.445 0.846–0.854
07.044 1124 3417 666 625‐33‐2	Pent‐3‐en‐2‐one	^(b)	Liquid C₅H₈O 84.12	Slightly soluble Miscible at room temp.	122 NMR At least 75% (E)‐isomer 25% (Z)‐isomer	1.433–1.437 0.860–0.865	The chemical name should be changed to pent‐(3E)‐en‐2‐one and the CAS number to 3102‐33‐8 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.048 1125 3352 718 2497‐21‐4	4‐Hexen‐3‐one	^(b)	Liquid C₆H₁₀O 98.15	Slightly soluble Miscible	93 (195 hPa) NMR 90–95% (E)‐isomer 4–5% (Z)‐isomer	1.437–1.443 0.855–0.861	The chemical name should be changed to hex‐(4E)‐en‐3‐one and the CAS number to 50396‐87‐7 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.069 1121 3059 2053 4433‐36‐7	Tetrahydro‐pseudo‐ionone	^(b)	Liquid C₁₃H₂₄O 196.33	Insoluble Miscible	234 NMR 95% (racemate)	1.449–1.455 0.865–0.875
07.081 1148 3515 2312 4312‐99‐6	Oct‐1‐en‐3‐one	^(b)	Liquid C₈H₁₄O 126.20	Insoluble Miscible	37–38 (3 hPa) NMR 96%	1.428–1.439 0.813–0.819
07.082 1129 3603 2313 4643‐27‐0	Oct‐2‐en‐4‐one	^(b)	Liquid C₈H₁₄O 126.20	Insoluble Miscible at room temp.	81 (26–27 hPa) IR NMR 90–91% (E)‐isomer 5–6% (Z)‐isomer	1.440–1.446 0.835–0.842	The chemical name should be changed to oct‐(2E)‐en‐4‐one and the CAS number to 22286‐99‐3 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.099 1134 3363 11143 1604‐28‐0	6‐Methylhepta‐3,5‐dien‐2‐one	^(b)	Liquid C₈H₁₂O 124.18	Almost insoluble Miscible	190 NMR 96% (mixture of E/Z stereoisomers: 60–90% (E))	1.528–1.537 0.895–0.899
07.100 1119 3365 11150 3240‐09‐3	5‐Methylhex‐5‐en‐2‐one	^(b)	Liquid C₇H₁₂O 112.17	Insoluble Miscible	148–149 NMR 97%	1.428–1.433 0.862–0.868
07.101 1131 3368 11853 141‐79‐7	4‐Methylpent‐3‐en‐2‐one	^(b)	Liquid C₆H₁₀O 98.14	Slightly soluble Miscible	126.76 NMR 95%	1.442–1.447 0.862–0.868
07.102 1147 3382 11179 1629‐58‐9	Pent‐1‐en‐3‐one	^(b)	Liquid C₅H₈O 84.12	Insoluble Miscible	68–70 (260 hPa) NMR 97%	1.417–1.422 0.842–0.848
07.104 1126 3399 11093 4643‐25‐8	Hept‐2‐en‐4‐one	^(b)	Liquid C₇H₁₂O 112.17	Slightly soluble Miscible	156–157 IR NMR 95% (E)‐isomer	1.440–1.445 0.845–0.852	The chemical name should be changed to hept‐(2E)‐en‐4‐one and the CAS number to 22286‐99‐3 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.105 1127 3400 11094 1119‐44‐4	Hept‐3‐en‐2‐one	^(b)	Liquid C₇H₁₂O 112.17	Slightly soluble Miscible	162 NMR 95% (E)‐isomer	1.439–1.448 0.841–0.847	The chemical name should be changed to hept‐(3E)‐en‐2‐one and the CAS number to 5609‐09‐6 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.106 1132 3409 11149 5166‐53‐0	5‐Methylhex‐3‐en‐2‐one	^(b)	Liquid C₇H₁₂O 112.17	Insoluble Miscible	77.5 (65 hPa) NMR 95% (E)‐isomer	1.437–1.441 0.838–0.843	The chemical name should be changed to 5‐Methylhex‐(3E)‐en‐2‐one and the CAS number to 1821‐29‐0 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.107 1128 3416 11170 1669‐44‐9	Oct‐3‐en‐2‐one	At least 94%; secondary component 4‐6% 4‐octen‐2‐one	Liquid C₈H₁₄O 126.19	Insoluble Miscible at room temp.	75–79 (26 hPa) NMR 90–91% (E)‐isomer 3–4% (Z)‐isomer SC: 4‐6% 4‐octen‐2‐one	1.445–1.449 0.834–0.839	The chemical name should be changed to Oct‐(3E)‐en‐2‐one and the CAS number to 18402‐82‐9 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.114 1123 3442 11206 762‐29‐8	6,10,14‐Trimethylpentadeca‐5,9,13‐trien‐2‐one	^(b)	Liquid C₁₈H₃₀O 262.44	Soluble Miscible	147–148 NMR 96% (mixture of (5E,9E)‐, (5Z,9Z)‐, (5E,9Z)‐ and (5Z,9E)‐isomers)	1.478–1.483 0.885–0.895
07.121 1130 3532 11751 10519‐33‐2	Dec‐3‐en‐2‐one	^(b)	Liquid C₁₀H₁₈O 154.25	Almost insoluble Miscible at room temp.	125–126 NMR 95% (E)‐isomer	1.446–1.452 0.809–0.813	The chemical name should be changed to Dec‐(3E)‐en‐2‐one and the CAS number to 18402‐84‐1 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1)
07.123 1122 3542 11088 3796‐70‐1	Geranyl acetone	^(b)	Liquid C₁₃H₂₂O 194.32	Slightly soluble Miscible	247 NMR 95% (E)‐isomer	1.463–1.471 0.861–0.867	Chemical name in the Union List should be changed to (E)‐geranyl acetone
07.139 1133 3761 81925‐81‐7	5‐Methylhept‐2‐en‐4‐one	^(b)	Liquid C₈H₁₄O 126.19	Slightly soluble Miscible	86–87 (78 hPa) NMR 91–95% (E)‐isomer 1–5% (Z)‐isomer (racemate)	1.440–1.445 0.845–0.852	The chemical name should be changed to 5‐Methylhept‐(2E)‐en‐4‐one and the CAS number to 102322‐83‐8 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1).
07.151 1118 3966 11056 928‐80‐3	Decan‐3‐one	^(b)	Liquid C₁₀H₂₀O 156.27	Insoluble Miscible	204‐205 NMR 97%	1.421–1.427 0.820–0.830
07.177 1135 3868 33046‐81‐0	7‐Methyl‐3‐octenone‐2	At least 94%; secondary components 2‐4% 7‐methyl‐4‐octen‐2‐one, 5,6‐ dimethyl‐3‐hepten‐2one and 3‐nonen‐2‐one	Liquid C₉H₁₆O 140.2	Slightly soluble Miscible	198 n.a. IR NMR MS % (E)‐isomer SC: 2‐4% 7‐methyl‐4‐octen‐2‐one, 5,6‐dimethyl‐3‐hepten‐2‐one and 3‐nonen‐2‐one	1.446–1.451 0.838–0.847	The chemical name should be changed to 7‐Methyl‐oct‐(3E)‐en‐2‐one and the CAS number to 1004754‐77‐1 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1).
07.188 1136 3955 11163 14309‐57‐0	Non‐3‐en‐2‐one	^(b)	Liquid C₉H₁₆O 140.22	Insoluble Miscible at room temp.	198 IR MS 95% (E)‐isomer	1.443–1.452 0.843–0.846	The chemical name should be changed to Non‐(3E)‐en‐2‐one and the CAS number to 18402‐83‐0 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1).
07.190 1848 4405 65213‐86‐7	Octa‐1,5‐dien‐3‐one	^(b)	Liquid C₈H₁₂O 124.18	Practically insoluble or insoluble Freely soluble	169 MS 95% (mixture of E/Z stereoisomers: 60–90% (E))	1.438–1.444 0.823–0.829
07.240 1156 4000 13019‐20‐0	2‐Methylheptan‐3‐one	^(b)	Liquid C₈H₁₆O 128.2	Insoluble Miscible	158–160 NMR 98%	1.408–1.413 0.811–0.821
07.244 1138 4001 20859‐10‐3	(6E)‐Methyl‐3‐hepten‐2‐one	^(b)	Liquid C₈H₁₄O 126.2	Insoluble Miscible at room temp.	170–180 NMR 96% (E)‐isomer < 1% (Z)‐isomer	1.438–1.447 0.840–0.850
07.247 1139 4008 30086‐02‐3	(E,E)‐3,5‐Octadien‐2‐one	^(b)	Liquid C₈H₁₂O 124.2	Insoluble Miscible	220 NMR 95%	1.508–1.516 0.880–0.890
07.249 1155 4022 927‐49‐1	Undecan‐6‐one	^(b)	Liquid C₁₁H₂₂O 170.3	Insoluble Miscible	228 NMR 97%	1.424–1.430 0.826–0.836
07.256 1137 3969 817‐88‐9	(E) & (Z)‐4,8‐Dimethyl‐3,7‐nonadiene‐2‐one	94% Secondary component: 3–4% 4,8–dimethyl‐3,7‐nonadien‐2‐ol	Liquid C₁₁H₁₈O 166.26	Insoluble Freely soluble	200–201 n.a. IR NMR % (Mixture of E/Z stereoisomers: 60–90% (E)) Secondary component: 3–4% 4,8‐dimethyl‐3,7‐nonadien‐2‐ol	1.473–1.477 0.869–0.875
09.281 1836 3582 11716 2442‐10‐6	Oct‐1‐en‐3‐yl acetate	^(b)	Liquid C₁₀H₁₈O₂ 170.25	Practically insoluble or insoluble Freely soluble	80 (2 hPa) NMR 97% (racemate)	1.418–1.428 0.865–0.886
09.282 1837 3612 16491‐54‐6	Oct‐1‐en‐3‐yl butyrate	^(b)	Liquid C₁₂H₂₂O₂ 198.32	Practically insoluble or insoluble Freely soluble	81 (0.46 hPa) IR NMR MS 95% (racemate)	1.418–1.428 0.865–0.875
09.657 1146 4012 10761 626‐38‐0	1‐Methylbutyl acetate	^(b)	Liquid C₇H₁₄O₂ 130.2	Insoluble Partially Soluble	135 NMR 98% (racemate)	1.369‐1.400 0.862‐0.866
09.658 1142 3893 10763 60415‐61‐4	1‐Methylbutyl butyrate	^(b)	Liquid C₉H₁₈O₂ 158.24	Insoluble 50% Soluble	185–186 IR NMR MS 99% (racemate)	1.409–1.415 0.862–0.868
09.923 1144 3981 39026‐94‐3	Hept‐2‐yl butyrate	^(b)	Liquid C₁₁H₂₂O₂ 186.3	Insoluble Miscible	210 NMR 98% (racemate)	1.413–1.417 0.855–0.860
09.924 1143 3980 5921‐83‐5	3‐Heptyl acetate (mixture of R and S)	^(b)	Liquid C₉H₁₈O₂ 158.2	Insoluble Miscible	185 NMR 98% (racemate)	1.406–1.414 0.858–0.867
09.925 1145 4007 60826‐15‐5	Nonan‐3‐yl acetate	^(b)	Liquid C₁₁H₂₂O₂ 186.3	Insoluble Miscible	225 NMR 98% (racemate)	1.416–1.423 0.854–0.864
09.936 1847 4103 91418‐25‐6	4,8‐Dimethyl‐3,7‐nonadien‐2‐yl acetate	^(b)	Liquid C₁₃H₂₂O₂ 210	Insoluble Soluble	75–83 (3 hPa) IR NMR 95% (racemate and mixture of E/Z stereoisomers: 50–80% (E))	1.451–1.459 0.890–0.900

Information included in the EU Union list

Regulation No (EU) 1334/2008 as amended

Most recent available specifications data ^a

EFSA

Comments

FL‐no

JECFA‐no

FEMA no

CoE no

CAS no

Chemical name

Purity of the named compound

Phys. form

Mol. formula

Mol. weight

Solubility ^c

Solubility in ethanol ^d

Boiling point, °C ^e

Melting point, °C

ID test

Assay minimum (isomers distribution/SC ^h )

Refrac. Index ^f

Spec. gravity ^g

02.023

1152

2805

3391‐86‐4

Oct‐1‐en‐3‐ol

^(b)

Liquid

C₈H₁₆O

128.22

Insoluble

Miscible

175–175.2

NMR

96%

1.431–1.442

0.835–0.845

02.099

1150

3584

11717

616‐25‐1

Pent‐1‐en‐3‐ol

^(b)

Liquid

C₅H₁₀O

86.13

Sparsely soluble

Miscible

114

NMR

98% (racemate)

1.419–1.427

0.831–0.837

02.102

1140

3602

76649‐14‐4

Oct‐3‐en‐2‐ol

^(b)

Liquid

C₈H₁₆O

128.22

Insoluble

Miscible

73–76 (13 hPa)

IR NMR MS

95% (E)‐isomer

(racemate)

1.422–1.428

0.826–0.836

The chemical name should be changed to Oct‐(3E)‐en‐2‐ol and the CAS number to 57648‐55‐2 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1 and 2)

02.104

1151

3608

10220

4798‐44‐1

Hex‐1‐en‐3‐ol

^(b)

Liquid

C₆H₁₂O

100.16

Insoluble

Miscible

133.5–134

NMR

98% (racemate)

1.425–1.431

0.830–0.836

02.136

1153

3824

51100‐54‐0

Dec‐1‐en‐3‐ol

^(b)

Liquid

C₁₀H₂₀O

156.27

Slightly soluble

Miscible

215

NMR MS

97% (racemate)

1.439–1.446

0.836–0.842

02.155

1842

4129

10218

4938‐52‐7

1‐Hepten‐3‐ol

^(b)

Liquid

C₇H₁₄O

114.19

Practically insoluble or insoluble

Freely soluble

155

97%(racemate)

1.431–1.437

0.834–0.837

02.193

1141

3888

4798‐61‐2

Oct‐2‐en‐4‐ol

^(b)

Liquid

C₈H₁₆O

128.22

Insoluble

50% Soluble in ethanol

174–176

IR NMR MS

% (E)‐isomer

1–2% (Z) isomer

(racemate)

1.438–1.442

0.830–0.838

The chemical name should be changed to Oct‐(2E)‐en‐4‐ol and the CAS number to 20125‐81‐9 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1 and 2)

02.252

1841

4102

67845‐50‐5

4,8‐Dimethyl‐3,7‐nonadien‐2‐ol

^(b)

Liquid

C₁₁H₂₀O

168

Insoluble

Soluble

70 (2.6 hPa)

IR NMR

95% (racemate and mixture of E/Z stereoisomers: 50–80% (E))

1.465–1.473

0.860–0.870

07.015

1120

2707

149

110‐93‐0

6‐Methylhept‐5‐en‐2‐one

^(b)

Liquid

C₈H₁₄O

126.19

Insoluble

Miscible

173.1

NMR

97%

1.435–1.445

0.846–0.854

07.044

1124

3417

666

625‐33‐2

Pent‐3‐en‐2‐one

^(b)

Liquid

C₅H₈O

84.12

Slightly soluble

Miscible at room temp.

122

NMR

At least 75% (E)‐isomer

25% (Z)‐isomer

1.433–1.437

0.860–0.865

The chemical name should be changed to pent‐(3E)‐en‐2‐one and the CAS number to 3102‐33‐8 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.048

1125

3352

718

2497‐21‐4

4‐Hexen‐3‐one

^(b)

Liquid

C₆H₁₀O

98.15

Slightly soluble

Miscible

93 (195 hPa)

NMR

90–95% (E)‐isomer

4–5% (Z)‐isomer

1.437–1.443

0.855–0.861

The chemical name should be changed to hex‐(4E)‐en‐3‐one and the CAS number to 50396‐87‐7 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.069

1121

3059

2053

4433‐36‐7

Tetrahydro‐pseudo‐ionone

^(b)

Liquid

C₁₃H₂₄O

196.33

Insoluble

Miscible

234

NMR

95% (racemate)

1.449–1.455

0.865–0.875

07.081

1148

3515

2312

4312‐99‐6

Oct‐1‐en‐3‐one

^(b)

Liquid

C₈H₁₄O

126.20

Insoluble

Miscible

37–38 (3 hPa)

NMR

96%

1.428–1.439

0.813–0.819

07.082

1129

3603

2313

4643‐27‐0

Oct‐2‐en‐4‐one

^(b)

Liquid

C₈H₁₄O

126.20

Insoluble

Miscible at room temp.

81 (26–27 hPa)

IR NMR

90–91% (E)‐isomer

5–6% (Z)‐isomer

1.440–1.446

0.835–0.842

The chemical name should be changed to oct‐(2E)‐en‐4‐one and the CAS number to 22286‐99‐3 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.099

1134

3363

11143

1604‐28‐0

6‐Methylhepta‐3,5‐dien‐2‐one

^(b)

Liquid

C₈H₁₂O

124.18

Almost insoluble

Miscible

190

NMR

96% (mixture of E/Z stereoisomers: 60–90% (E))

1.528–1.537

0.895–0.899

07.100

1119

3365

11150

3240‐09‐3

5‐Methylhex‐5‐en‐2‐one

^(b)

Liquid

C₇H₁₂O

112.17

Insoluble

Miscible

148–149

NMR

97%

1.428–1.433

0.862–0.868

07.101

1131

3368

11853

141‐79‐7

4‐Methylpent‐3‐en‐2‐one

^(b)

Liquid

C₆H₁₀O

98.14

Slightly soluble

Miscible

126.76

NMR

95%

1.442–1.447

0.862–0.868

07.102

1147

3382

11179

1629‐58‐9

Pent‐1‐en‐3‐one

^(b)

Liquid

C₅H₈O

84.12

Insoluble

Miscible

68–70 (260 hPa)

NMR

97%

1.417–1.422

0.842–0.848

07.104

1126

3399

11093

4643‐25‐8

Hept‐2‐en‐4‐one

^(b)

Liquid

C₇H₁₂O

112.17

Slightly soluble

Miscible

156–157

IR NMR

95% (E)‐isomer

1.440–1.445

0.845–0.852

The chemical name should be changed to hept‐(2E)‐en‐4‐one and the CAS number to 22286‐99‐3 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.105

1127

3400

11094

1119‐44‐4

Hept‐3‐en‐2‐one

^(b)

Liquid

C₇H₁₂O

112.17

Slightly soluble

Miscible

162

NMR

95% (E)‐isomer

1.439–1.448

0.841–0.847

The chemical name should be changed to hept‐(3E)‐en‐2‐one and the CAS number to 5609‐09‐6 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.106

1132

3409

11149

5166‐53‐0

5‐Methylhex‐3‐en‐2‐one

^(b)

Liquid

C₇H₁₂O

112.17

Insoluble

Miscible

77.5 (65 hPa)

NMR

95% (E)‐isomer

1.437–1.441

0.838–0.843

The chemical name should be changed to 5‐Methylhex‐(3E)‐en‐2‐one and the CAS number to 1821‐29‐0 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.107

1128

3416

11170

1669‐44‐9

Oct‐3‐en‐2‐one

At least 94%; secondary component

4‐6% 4‐octen‐2‐one

Liquid

C₈H₁₄O

126.19

Insoluble

Miscible at room temp.

75–79 (26 hPa)

NMR

90–91% (E)‐isomer

3–4% (Z)‐isomer

SC: 4‐6% 4‐octen‐2‐one

1.445–1.449

0.834–0.839

The chemical name should be changed to Oct‐(3E)‐en‐2‐one and the CAS number to 18402‐82‐9 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.114

1123

3442

11206

762‐29‐8

6,10,14‐Trimethylpentadeca‐5,9,13‐trien‐2‐one

^(b)

Liquid

C₁₈H₃₀O

262.44

Soluble

Miscible

147–148

NMR

96% (mixture of (5E,9E)‐, (5Z,9Z)‐, (5E,9Z)‐ and (5Z,9E)‐isomers)

1.478–1.483

0.885–0.895

07.121

1130

3532

11751

10519‐33‐2

Dec‐3‐en‐2‐one

^(b)

Liquid

C₁₀H₁₈O

154.25

Almost insoluble

Miscible at room temp.

125–126

NMR

95% (E)‐isomer

1.446–1.452

0.809–0.813

The chemical name should be changed to Dec‐(3E)‐en‐2‐one and the CAS number to 18402‐84‐1 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1)

07.123

1122

3542

11088

3796‐70‐1

Geranyl acetone

^(b)

Liquid

C₁₃H₂₂O

194.32

Slightly soluble

Miscible

247

NMR

95% (E)‐isomer

1.463–1.471

0.861–0.867

Chemical name in the Union List should be changed to (E)‐geranyl acetone

07.139

1133

3761

81925‐81‐7

5‐Methylhept‐2‐en‐4‐one

^(b)

Liquid

C₈H₁₄O

126.19

Slightly soluble

Miscible

86–87 (78 hPa)

NMR

91–95% (E)‐isomer

1–5% (Z)‐isomer

(racemate)

1.440–1.445

0.845–0.852

The chemical name should be changed to 5‐Methylhept‐(2E)‐en‐4‐one and the CAS number to 102322‐83‐8 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1).

07.151

1118

3966

11056

928‐80‐3

Decan‐3‐one

^(b)

Liquid

C₁₀H₂₀O

156.27

Insoluble

Miscible

204‐205

NMR

97%

1.421–1.427

0.820–0.830

07.177

1135

3868

33046‐81‐0

7‐Methyl‐3‐octenone‐2

At least 94%; secondary components

2‐4% 7‐methyl‐4‐octen‐2‐one, 5,6‐ dimethyl‐3‐hepten‐2one and 3‐nonen‐2‐one

Liquid

C₉H₁₆O

140.2

Slightly soluble

Miscible

198

n.a.

IR NMR MS

% (E)‐isomer

SC: 2‐4% 7‐methyl‐4‐octen‐2‐one, 5,6‐dimethyl‐3‐hepten‐2‐one and 3‐nonen‐2‐one

1.446–1.451

0.838–0.847

The chemical name should be changed to 7‐Methyl‐oct‐(3E)‐en‐2‐one and the CAS number to 1004754‐77‐1 to reflect the stereochemical configuration. (Documentation provided to EFSA nr: 1).

07.188

1136

3955

11163

14309‐57‐0

Non‐3‐en‐2‐one

^(b)

Liquid

C₉H₁₆O

140.22

Insoluble

Miscible at room temp.

198

IR MS

95% (E)‐isomer

1.443–1.452

0.843–0.846

The chemical name should be changed to Non‐(3E)‐en‐2‐one and the CAS number to 18402‐83‐0 to reflect the stereochemical configuration.

(Documentation provided to EFSA nr: 1).

07.190

1848

4405

65213‐86‐7

Octa‐1,5‐dien‐3‐one

^(b)

Liquid

C₈H₁₂O

124.18

Practically insoluble or insoluble

Freely soluble

169

95% (mixture of E/Z stereoisomers: 60–90% (E))

1.438–1.444

0.823–0.829

07.240

1156

4000

13019‐20‐0

2‐Methylheptan‐3‐one

^(b)

Liquid

C₈H₁₆O

128.2

Insoluble

Miscible

158–160

NMR

98%

1.408–1.413

0.811–0.821

07.244

1138

4001

20859‐10‐3

(6E)‐Methyl‐3‐hepten‐2‐one

^(b)

Liquid

C₈H₁₄O

126.2

Insoluble

Miscible at room temp.

170–180

NMR

96% (E)‐isomer

< 1% (Z)‐isomer

1.438–1.447

0.840–0.850

07.247

1139

4008

30086‐02‐3

(E,E)‐3,5‐Octadien‐2‐one

^(b)

Liquid

C₈H₁₂O

124.2

Insoluble

Miscible

220

NMR

95%

1.508–1.516

0.880–0.890

07.249

1155

4022

927‐49‐1

Undecan‐6‐one

^(b)

Liquid

C₁₁H₂₂O

170.3

Insoluble

Miscible

228

NMR

97%

1.424–1.430

0.826–0.836

07.256

1137

3969

817‐88‐9

(E) & (Z)‐4,8‐Dimethyl‐3,7‐nonadiene‐2‐one

94% Secondary component: 3–4% 4,8–dimethyl‐3,7‐nonadien‐2‐ol

Liquid

C₁₁H₁₈O

166.26

Insoluble

Freely soluble

200–201

n.a.

IR NMR

% (Mixture of E/Z stereoisomers: 60–90% (E))

Secondary component: 3–4% 4,8‐dimethyl‐3,7‐nonadien‐2‐ol

1.473–1.477

0.869–0.875

09.281

1836

3582

11716

2442‐10‐6

Oct‐1‐en‐3‐yl acetate

^(b)

Liquid

C₁₀H₁₈O₂

170.25

Practically insoluble or insoluble

Freely soluble

80 (2 hPa)

NMR

97% (racemate)

1.418–1.428

0.865–0.886

09.282

1837

3612

16491‐54‐6

Oct‐1‐en‐3‐yl butyrate

^(b)

Liquid

C₁₂H₂₂O₂

198.32

Practically insoluble or insoluble

Freely soluble

81 (0.46 hPa)

IR NMR MS

95% (racemate)

1.418–1.428

0.865–0.875

09.657

1146

4012

10761

626‐38‐0

1‐Methylbutyl acetate

^(b)

Liquid

C₇H₁₄O₂

130.2

Insoluble

Partially Soluble

135

NMR

98% (racemate)

1.369‐1.400

0.862‐0.866

09.658

1142

3893

10763

60415‐61‐4

1‐Methylbutyl butyrate

^(b)

Liquid

C₉H₁₈O₂

158.24

Insoluble

50% Soluble

185–186

IR NMR MS

99% (racemate)

1.409–1.415

0.862–0.868

09.923

1144

3981

39026‐94‐3

Hept‐2‐yl butyrate

^(b)

Liquid

C₁₁H₂₂O₂

186.3

Insoluble

Miscible

210

NMR

98% (racemate)

1.413–1.417

0.855–0.860

09.924

1143

3980

5921‐83‐5

3‐Heptyl acetate (mixture of R and S)

^(b)

Liquid

C₉H₁₈O₂

158.2

Insoluble

Miscible

185

NMR

98% (racemate)

1.406–1.414

0.858–0.867

09.925

1145

4007

60826‐15‐5

Nonan‐3‐yl acetate

^(b)

Liquid

C₁₁H₂₂O₂

186.3

Insoluble

Miscible

225

NMR

98% (racemate)

1.416–1.423

0.854–0.864

09.936

1847

4103

91418‐25‐6

4,8‐Dimethyl‐3,7‐nonadien‐2‐yl acetate

^(b)

Liquid

C₁₃H₂₂O₂

210

Insoluble

Soluble

75–83 (3 hPa)

IR NMR

95% (racemate and mixture of E/Z stereoisomers: 50–80% (E))

1.451–1.459

0.890–0.900

UL: Union List.

JECFA (2002a), EFSA CEF Panel (2016a); Documentation provided to EFSA nr: 1 and 2.

At least 95% unless otherwise specified.

Solubility in water, if not otherwise stated.

Solubility in 95% ethanol, if not otherwise stated.

At 1,013.25 hPa, if not otherwise stated.

At 20°C, if not otherwise stated.

At 25°C, if not otherwise stated.

Secondary components.