Table B.1.
Summary table on specifications data for flavouring substances in FGE.69Rev1, for chemical structures see Appendix D
| Information included in the EU Union List Regulation No (EU) 1334/2008 as amended | Most recent available specifications dataa | 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) | Refrac. index(f) Spec. gravity(g) | |
|
02.033 822 2884 82 93‐54‐9 |
1‐Phenylpropan‐1‐ol | (b) |
Liquid C9H12O 136.19 |
Insoluble Miscible |
219 IR 97% (racemate) |
1.517–1.522 0.993–1.000 |
|
|
02.034 825 2953 83 705‐73‐7 |
1‐Phenylpentan‐2‐ol | (b) |
Liquid C11H16O 164.25 |
Insoluble Miscible |
247 IR 96% (racemate) |
1.508–1.513 0.957–0.964 |
|
|
02.036 815 2879 85 2344‐70‐9 |
4‐Phenylbutan‐2‐ol | (b) |
Liquid C10H14O 150.22 |
Insoluble Miscible |
229 IR 97% (racemate) |
1.514–1.518 0.977–0.983 |
|
|
02.064 799 2685 2030 98‐85‐1 |
1‐Phenylethan‐1‐ol | (b) |
Liquid C8H10O 122.17 |
Insoluble Miscible |
204 19–20 IR 99% (racemate) |
1.524–1.529 1.009–1.014 |
|
|
02.065 827 2208 2031 7779‐78‐4 |
4‐Methyl‐1‐phenylpentan‐2‐ol | (b) |
Liquid C12H18O 178.28 |
Insoluble Miscible |
250 IR 96% (racemate) |
1.500–1.510 0.940–0.949 |
(Documentation provided to EFSA nr. 3) |
|
02.066 819 2880 2032 17488‐65‐2 |
Phenylbut‐3‐en‐2‐ol | (b) |
Liquid C10H12O 148.21 |
Insoluble Miscible |
140 (16 hPa) IR 96% (30–60%(Z)‐ isomer and 40–70%(E)‐ isomer), racemate |
1.558–1.567 1.006–1.012 |
Stereoisomeric mixture: 30‐60% (Z)‐ isomer and 40–70% (E)‐ isomer. (Documentation provided to EFSA nr. 1). |
|
02.080 805 3139 10197 536‐50‐5 |
1‐(p‐Tolyl)ethan‐1‐ol | (b) |
Liquid C19H12O 136.19 |
Miscible Miscible |
218–219 IR 96% (racemate) |
1.520–1.524 0.980–0.990 |
|
|
07.004 806 2009 138 98‐86‐26 |
Acetophenone | (b) |
Liquid C8H8O 120.15 |
Very slightly soluble Miscible above 20° |
202 IR 98% |
1.530–1.535 1.022–1.028 |
|
|
07.013 811 2723 147 93‐08‐3 |
Methyl 2‐naphthyl ketone |
(b) |
Solid C12H10O 170.21 |
Insoluble Souble |
300 53 IR 97% |
n.a. n.a. |
|
|
07.022 807 2677 156 122‐00‐9 |
4‐Methylacetophenone | (b) |
Liquid C9H10O 134.18 |
Insoluble Very soluble |
226 22–24 IR 95% |
1.530–1.536 0.999–1.010 |
|
|
07.023 809 2387 157 89‐74‐7 |
2,4‐ Dimethylacetophenone |
(b) |
Liquid C10H12O 148.21 |
Insoluble Miscible |
228 IR 96% |
1.532–1.536 0.993–0.999 |
|
|
07.024 820 2881 158 122‐57‐6 |
Phenylbut‐3‐en‐2‐one | (b) |
Solid C10H10O 146.19 |
Insoluble Very soluble |
260 39–42 IR 97% (30‐60%(Z)‐ isomer and 40–70%(E)‐ isomer) |
n.a. n.a. |
Stereoisomeric mixture: 30‐60%(Z)‐ isomer and 40‐70% d ‐ isomer. (Documentation provided to EFSA nr. 1) |
|
07.025 828 2740 159 5349‐62‐2 |
4‐Methyl‐1‐phenylpentan‐2‐one | (b) |
Liquid C12H16O 176.26 |
Insoluble Miscible |
251 NMR 96% |
1.500–1.510 0.940–0.949 |
|
|
07.026 817 3074 160 777‐79‐0 |
4‐(p‐Tolyl)butan‐2‐one | (b) |
Liquid C11H14O2 162.23 |
Insoluble Miscible |
85 (9 hPa) IR 97% (racemate) |
1.503–1.508 0.981–0.988 |
|
|
07.027 821 2734 161 1901‐26‐4 |
3‐Methyl‐4‐phenylbut‐3‐en‐2‐one | (b) |
Solid C11H12O 160.22 |
Insoluble Very soluble |
124–125 (13 hPa) 38–40 NMR 97% (30–60%(Z)‐ isomer and 40–70%(E)‐ isomer) |
n.a. n.a. |
Stereoisomeric mixture: 30–60%(Z)‐ isomer and 40–70% (E)‐ isomer (Documentation provided to EFSA nr. 1) |
|
07.028 836 2132 162 119‐53‐9 |
Benzoin | (b) |
Solid C14H12O2 212.25 |
Insoluble Slightly soluble |
194 (16 hPa) 137 IR 98% (racemate) |
n.a n.a |
|
|
07.029 818 2672 163 104‐20‐1 |
4‐(4‐Methoxyphenyl)butan‐2‐one | (b) |
Liquid C11H14O2 178.23 |
Insoluble Miscible |
277 IR 96% |
1.515–1.525 1.041–1.050 |
|
|
07.032 831 2134 166 119‐61‐9 |
Benzophenone | (b) |
Solid C13H10O 182.22 |
Insoluble Very soluble |
305 48 IR 98% |
n.a. n.a. |
|
|
07.038 810 2005 570 100‐06‐1 |
4‐Methoxyacetophenone | (b) |
Solid C9H10O2 150.18 |
Insoluble Very soluble |
153 (34 hPa) 36–38 IR 97% as sum of para (predominant), ortho and meta isomers (minor constituents) |
n.a. n.a. |
Occurs mainly as the para‐isomer. Other minor constituents are the other two positional isomers: ortho and meta (sum of all isomers: 97% purity). (Documentation provided to EFSA nr. 3) Composition of the mixture of positional isomers to be specified |
|
07.040 824 3469 599 93‐55‐0 |
1‐Phenylpropan‐1‐one | (b) |
Liquid C9H10O 134.18 |
Insoluble Miscible |
218 21 IR 98% |
1.521–1.531 1.004–1.014 |
|
|
07.042 808 2927 651 645‐13‐6 |
4‐Isopropylacetophenone | (b) |
Liquid C11H14O 162.23 |
Insoluble Miscible |
252 IR 98% as sum of para (predominant), ortho and meta isomers (minor constituents) |
1.520–1.527 0.967–0.975 |
Occurs mainly as the para‐isomer (4‐isopropyl form). Other minor constituents are the other two positional isomers: ortho and meta (sum of all isomers: 98% purity) (Documentation provided to EFSA nr. 3) Composition of the mixture of positional isomers to be specified |
|
07.070 830 2146 2140 7492‐37‐7 |
3‐Benzylheptan‐4‐one | (b) |
Liquid C14H20O 204.31 |
Insoluble Miscible |
158–160 (13 hPa) IR 99% (racemate) |
1.490–1.495 0.931–0.937 |
(Documentation provided to EFSA nr. 3) |
|
07.079 833 3226 2275 579‐07‐7 |
1‐Phenylpropan‐1,2‐dione | (b) |
Liquid C9H8O2 148.16 |
Insoluble Miscible |
103–105 (18 hPa) IR 97% |
1.526–1.536 1.096–1.116 |
|
|
07.086 832 2397 11839 102‐04‐5 |
1,3‐Diphenylpropan‐2‐one | (b) |
Solid C15H14O 210.28 |
Insoluble Very soluble |
330 32–37 IR 97% |
n.a. n.a. |
|
|
07.087 813 2674 11836 122‐84‐9 |
4‐Methoxyphenylacetone | (b) |
Liquid C10H12O2 164.21 |
Insoluble Miscible |
260 IR 97% |
1.520–1.530 1.067–1.073 |
|
|
07.133 812 3653 13171‐00‐1 |
4‐Acetyl‐6‐t‐butyl‐1,1‐dimethylindane | (b) |
Solid C17H24O 244.38 |
Insoluble Soluble |
68–70 IR 97% |
n.a. n.a. |
No longer supported by industry Was not included in the UL |
|
09.144 802 2689 425 120‐45‐6 |
1‐Phenethyl propionate | (b) |
Liquid C11H14O2 178.23 |
Insoluble Miscible |
91–92 (7 hPa) IR 98% (racemate) |
1.487–1.494 1.002–1.009 |
|
|
09.178 801 2684 573 93‐92‐5 |
1‐Phenethyl acetate | (b) |
Liquid C10H12O2 164.20 |
Insoluble Miscible |
214 IR 98% (racemate) |
1.492–1.504 1.020–1.035 |
|
|
09.179 800 2688 574 7775‐38‐4 |
1‐Phenethyl formate | (b) |
Liquid C9H10O2 150.18 |
Insoluble Miscible |
198 IR Ester (92–93%) SC: alpha‐methylbenzyl alcohol (5–6%) (racemate) |
1.502–1.508 1.042–1.050 |
(Documentation provided to EFSA nr. 3) The purity requirements should be updated in the UL, as in accordance with the specifications provided |
|
09.189 823 2424 628 10031‐86‐4 |
1‐Phenylpropyl butyrate | (b) |
Liquid C13H18O2 206.28 |
Insoluble Miscible |
282 IR 97% (racemate) |
1.486–1.491 0.986–0.992 |
(Documentation provided to EFSA nr. 3) |
|
09.200 816 2882 671 10415‐88‐0 |
1‐Methyl‐3‐phenylpropyl acetate | (b) |
Liquid C12H16O2 192.26 |
Insoluble Miscible |
72–74 (0.7 hPa) IR 98% (racemate) |
1.498–1.505 0.975–0.980 |
(Documentation provided to EFSA nr. 3) |
|
09.231 803 2686 2083 3460‐44‐4 |
1‐Phenethyl butyrate | (b) |
Liquid C12H16O2 192.26 |
Insoluble Miscible |
93–94 (4 hPa) IR 98% (racemate) |
1.484–1.490 0.977–0.997 |
(Documentation provided to EFSA nr. 3) |
|
09.249 814 3197 2276 68922‐11‐2 |
1‐Methyl‐2‐phenethyl butyrate | (b) |
Liquid C13H18O2 206.29 |
Insoluble Miscible |
138–140 (13 hPa) NMR 99% (racemate) |
1.480–1.487 0.975–0.985 |
(Documentation provided to EFSA nr. 3) |
|
09.476 834 2423 627 94‐02‐0 |
Ethyl 3‐phenyl‐3‐oxopropionate | At least 88%; secondary component 7‐9% ethyl benzoate |
Liquid C11H12O3 192.21 |
Insoluble Miscible |
147 (14 hPa) IR Ethyl 3‐phenyl‐3‐oxopropionate (88%) SC: 3‐oxo‐3‐phenylpropionic acid (7–8%) and ethyl benzoate |
1.524–1.533 1.107–1.120 |
(Documentation provided to EFSA nr. 3) The purity requirements should be updated in the UL in accordance with the specifications provided |
|
09.486 804 2687 2088 7775‐39‐5 |
1‐Phenethyl isobutyrate | (b) |
Liquid C12H16O2 192.26 |
Insoluble Miscible |
219 IR 98% (racemate) |
1.480–1.486 0.977–0.983 |
(Documentation provided to EFSA nr. 3) |
|
09.501 835 2416 2241 620‐79‐1 |
Ethyl 2‐acetyl‐3phenylpropionate | (b) |
Liquid C13H16O3 220.27 |
Insoluble Miscible |
276 IR 97% (racemate) |
1.498–1.502 1.033–1.037 |
(Documentation provided to EFSA nr. 3) |
SC: Secondary components; UL: Union List.
JECFA, 2002a,b; EFSA AFC Panel, 2008a; EFSA CEF Panel, 2011. Documentation provided to EFSA nr: 1. and 3.
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.