Table 1.

Specification summary of the substances in the flavouring group evaluation 7, Revision 5

FL‐no	EU register name	Structural formula	FEMA no CoE no CAS no	Phys. form Mol. formula Mol. weight	Solubilitya Solubility in ethanolb	Boiling point, °Cc Melting point, °C ID test Assay minimum	Refrac. Indexd Spec. gravitye	Specification comments
02.077	Pentan‐3‐ol		2349 584‐02‐1	Liquid C5H12O 88.15	Slightly soluble Freely soluble	115 MS 98%	1.407–1.413 0.815–0.822
02.124	6‐Methylhept‐5‐en‐2‐ol		10264 1569‐60‐4	Liquid C8H16O 128.21	Slightly soluble Freely soluble	77 (20 hPa) MS 95%	1.447–1.453 0.848–0.854	Racemate (EFFA, 2002a)
02.131	But‐3‐en‐2‐ol		598‐32‐3	Liquid C4H8O 72.11	Slightly soluble Freely soluble	90 MS 95%	1.409–1.415 0.831–0.837	Racemate (EFFA, 2016)
02.142	3,3‐Dimethylbutan‐2‐ol		464‐07‐3	Liquid C6H14O 102.18	Slightly soluble Freely soluble	120 MS 95%	1.410–1.416 0.814–0.820	Racemate (EFFA, 2002a)
02.145	2,6‐Dimethylocta‐1,5,7‐trien‐3‐ol		29414‐56‐0	Liquid C10H16O 152.24	Slightly soluble Freely soluble	240 MS 95%	1.484–1.490 0.895–0.901	Racemate Mixture of E/Z stereoisomers: 50–80% (E) (EFFA, 2012)
02.148	Dodecan‐2‐ol		11760 10203‐28‐8	Liquid C12H26O 186.34	Insoluble Freely soluble	129 (15 hPa) 19 MS 95%	1.438–1.444 0.829–0.835	Racemate (EFFA, 2002a)
02.177	2‐Methylhexan‐3‐ol		10266 617‐29‐8	Liquid C7H16O 116.20	Slightly soluble Freely soluble	144 MS 95%	1.418–1.424 0.820–0.826	Racemate (EFFA, 2002a)
02.182	3‐Methylpentan‐2‐ol		10276 565‐60‐6	Liquid C6H14O 102.18	Insoluble Freely soluble	134 MS 95%	1.415–1.421 0.827–0.833	Racemate (EFFA, 2010)
02.183	4‐Methylpentan‐2‐ol		10279 108‐11‐2	Liquid C6H14O 102.18	Slightly soluble Freely soluble	132 MS 99%	1.407–1.414 0.802–0.808	Racemate (EFFA, 2002a)
02.187	Non‐1‐en‐3‐ol		10291 21964‐44‐3	Liquid C9H18O 142.24	Practically insoluble or insoluble Freely soluble	195 MS 98%	1.438–1.444 0.835–0.845	Racemate (EFFA, 2016)
02.190	Nonan‐3‐ol		10290 624‐51‐1	Liquid C9H20O 144.26	Practically insoluble or insoluble Freely soluble	195 MS 95%	1.425–1.431 0.818–0.824	Racemate (EFFA, 2010)
02.194	Octa‐1,5‐dien‐3‐ol		83861‐74‐9	Liquid C8H14O 126.20	Practically insoluble or insoluble Freely soluble	187 MS 95%	1.441–1.447 0.832–0.838	Racemate (EFFA, 2017) Mixture of E/Z stereoisomers: 60–90% (E) (EFFA, 2012)
02.211	Undeca‐1,5‐dien‐3‐ol		56722‐23‐7	Liquid C11H20O 168.28	Practically insoluble or insoluble Freely soluble	244 NMR 95%	1.456–1.462 0.872–0.878	Racemate (EFFA, 2017) Mixture of E/Z stereoisomers: 60–90% (E) (EFFA, 2012) CASrn refers to the (Z)‐isomer only. CASrn in the Union List to be changed to 319497‐21‐7
02.255	(Z)‐4‐Hepten‐2‐ol		66642‐85‐1	Liquid C7H14O 114.19	Insoluble Freely soluble	154 MS 92%	1.433–1.453 0.832–0.852	Racemate (EFFA, 2017) Mixture of E/Z stereoisomers: (Z)‐isomer (approx. 92%), (E)‐isomer (approx. 4%). Minor constituents 2‐heptanol (< 1), trans‐3‐hepten‐2‐ol (< 1%), cis‐3‐hepten‐2‐ol (< 1%) (EFFA, 2010) CAS nr does not specify the geometrical isomer Name in the Union List to be changed to 4‐Hepten‐2‐ol
07.072	6‐Methylheptan‐3‐one		2143 624‐42‐0	Liquid C8H16O 128.21	Insoluble Freely soluble	162 MS 95%	1.412–1.418 0.813–0.819
07.084	Pentan‐3‐one		2350 96‐22‐0	Liquid C5H10O 86.13	Partly soluble Freely soluble	102 MS 99%	1.389–1.395 0.812–0.818
07.150 2074	Decan‐2‐one		4271 11055 693‐54‐9	Liquid C10H20O 156.27	Insoluble Freely soluble	210 MS 98%	1.423–1.429 0.821–0.827
07.156	2,6‐Dimethyloct‐6‐en‐3‐one (mixture of E and Z)		90975‐15‐8	Liquid C10H18O 154.25	Insoluble Freely soluble	80 (13 hPa) NMR 95%	1.442–1.448 0.823–0.829	Mixture of E/Z isomers: 50–80% (E) (EFFA, 2017)
07.157	6,10‐Dimethylundecan‐2‐one		11068 1604‐34‐8	Liquid C13H26O 198.35	Insoluble Freely soluble	121 (16 hPa) MS 95%	1.433–1.439 0.828–0.834	Racemate (EFFA, 2002a)
07.158	Dodecan‐2‐one		11069 6175‐49‐1	Liquid C12H24O 184.32	Insoluble Freely soluble	119 (13 hPa) 20 MS 99%	1.431–1.437 0.825–0.835
07.160	Heptadecan‐2‐one		11089 2922‐51‐2	Solid C17H34O 254.46	Insoluble Freely soluble	144 (1 hPa) 48 MS 95%	n.a. n.a.
07.161	Hex‐1‐en‐3‐one		1629‐60‐3	Liquid C6H10O 98.14	Practically insoluble or insoluble Freely soluble	128 MS 95%	1.420–1.426 0.849–0.855
07.162	Hex‐5‐en‐2‐one		109‐49‐9	Liquid C6H10O 98.14	Slightly soluble Freely soluble	128 MS 95%	1.418–1.424 0.839–0.845
07.178	3‐Methylbutan‐2‐one		11131 563‐80‐4	Liquid C5H10O 86.13	Slightly soluble Freely soluble	94 MS 95%	1.387–1.393 0.801–0.807
07.181	6‐Methylheptan‐2‐one		11146 928‐68‐7	Liquid C8H16O 128.21	Insoluble Freely soluble	167 MS 95%	1.412–1.418 0.813–0.819
07.182	5‐Methylheptan‐3‐one		541‐85‐5	Liquid C8H16O 128.21	Insoluble Freely soluble	158 MS 95%	1.418–1.424 0.816–0.824	Racemate (EFFA, 2002a)
07.185	3‐Methylpentan‐2‐one		11157 565‐61‐7	Liquid C6H12O 100.16	Insoluble Freely soluble	117 MS 95%	1.398–1.404 0.810–0.816	Racemate (EFFA, 2002a)
07.189	Nonan‐4‐one		11161 4485‐09‐0	Liquid C9H18O 142.24	Insoluble Freely soluble	188 MS 95%	1.416–1.422 0.821–0.827
07.198	Pseudo‐ionone		4299 11191 141‐10‐6	Liquid C13H20O 192.30	Insoluble Freely soluble	144 (16 hPa) MS 95%	1.529–1.535 0.894–0.903	Mixture of E/Z stereoisomers: > 50% EE (EFFA, 2012)
07.199	Tetradecan‐2‐one		11192 2345‐27‐9	Solid C14H28O 212.37	Insoluble Freely soluble	146 (16 hPa) 33 MS 95%	n.a. n.a.
07.201	Tridec‐12‐en‐2‐one		60437‐21‐0	Liquid C13H24O 196.33	Insoluble Freely soluble	129 (13 hPa) NMR 95%	1.441–1.447 0.815–0.821
07.204	3,3,6‐Trimethylhepta‐1,5‐dien‐4‐one		546‐49‐6	Liquid C10H16O 152.24	Practically insoluble or insoluble Freely soluble	181 MS 95%	1.462–1.468 0.867–0.873
07.205	6,10,14‐Trimethylpentadecan‐2‐one		11205 502‐69‐2	Liquid C18H36O 268.48	Insoluble Freely soluble	174 (13 hPa) MS 95%	1.445–1.451 0.834–0.840	Racemate (EFFA, 2002a)
07.210	1‐Nonene‐3‐one		24415‐26‐7	Liquid C9H16O 140.22	Insoluble Freely soluble	80 (16 hPa) MS 95%	1.436–1.442 0.826–0.830
07.236	(Z)‐5‐Octen‐2‐one		11171 22610‐86‐2	Liquid C8H14O 126.20	Practically insoluble or insoluble Freely soluble	115 NMR 95%	1.431–1.437 0.842–0.848
07.239 1840	[R‐e]‐5‐Isopropyl‐8‐methylnona‐6,8‐dien‐2‐one		4331 2278‐53‐7	Liquid C13H22O 194.31	Practically insoluble or insoluble Freely soluble	238 MS 95%	1.471–1.477 0.846–0.852
07.262	9‐Decen‐2‐one		4706 35194‐30‐0	Liquid C10H18O 154	Slightly soluble Soluble	206.3 IR NMR MS 99%	1.426–1.446 0.834–0.854
09.304	sec‐Heptyl isovalerate		10806 238757‐71‐6	Liquid C12H24O2 200.32	Insoluble Freely soluble	235 NMR 95%	1.423–1.429 0.867–0.873	Racemate (EFFA, 2002a)
09.323	sec‐Butyl acetate		10527 105‐46‐4	Liquid C6H12O2 116.16	Slightly soluble Freely soluble	111 MS 95%	1.385–1.391 0.867–0.873	Racemate (EFFA, 2002a)
09.325	sec‐Butyl butyrate		10528 819‐97‐6	Liquid C8H16O2 144.21	Slightly soluble Freely soluble	152 MS 95%	1.399–1.405 0.858–0.864	Racemate (EFFA, 2002a)
09.328	sec‐Butyl formate		10532 589‐40‐2	Liquid C5H10O2 102.13	Slightly soluble Freely soluble	94 MS 95%	1.386–1.392 0.877–0.883	Racemate (EFFA, 2002a)
09.332	sec‐Butyl hexanoate		10533 820‐00‐8	Liquid C10H20O2 172.27	Insoluble Freely soluble	82 (21 hPa) NMR 95%	1.408–1.414 0.861–0.867	Racemate (EFFA, 2002a)
09.386	sec‐Hept‐4(cis)‐enyl acetate		94088‐33‐2	Liquid C9H16O2 156.22	Insoluble Freely soluble	185 MS 95%	1.412–1.418 0.854–0.860	Racemate (EFFA, 2002a)
09.388	sec‐Heptyl acetate		10802 5921‐82‐4	Liquid C9H18O2 158.24	Insoluble Freely soluble	172 MS 95%	1.406–1.412 0.862–0.868	Racemate (EFFA, 2002a)
09.391	sec‐Heptyl hexanoate		10805 6624‐58‐4	Liquid C13H26O2 214.35	Insoluble Freely soluble	126 (20 hPa) MS 95%	1.421–1.427 0.851–0.857	Racemate (EFFA, 2002a)
09.604	Isopropyl decanoate		10730 2311‐59‐3	Liquid C13H26O2 214.35	Insoluble Freely soluble	88 (3 hPa) MS 95%	1.421–1.427 0.851–0.857
09.605	Isopropyl dodecanoate		10233‐13‐3	Liquid C15H30O2 242.40	Insoluble Freely soluble	105 (1 hPa) MS 95%	1.427–1.433 0.851–0.857
09.606	Isopropyl hexadecanoate		10732 142‐91‐6	Liquid C19H38O2 298.51	Insoluble Freely soluble	342 13 MS 95%	1.433–1.439 0.852–0.858
09.608	Isopropyl octanoate		10731 5458‐59‐3	Liquid C11H22O2 186.29	Insoluble Freely soluble	124 (53 hPa) MS 95%	1.414–1.420 0.853–0.859
09.609	Isopropyl valerate		18362‐97‐5	Liquid C8H16O2 144.21	Insoluble Freely soluble	165 MS 95%	1.398–1.404 0.855–0.861
09.676	sec‐Octyl acetate		10799 2051‐50‐5	Liquid C10H20O2 172.27	Practically insoluble or insoluble Freely soluble	193 MS 95%	1.409–1.415 0.857–0.863	Racemate (EFFA, 2010)
09.880	(Z)‐Hept‐4‐enyl‐2 butyrate		94088‐12‐7	Liquid C11H20O2 184.28	Practically insoluble or insoluble Freely soluble	224 MS 95%	1.414–1.420 0.852–0.858	Racemate (EFFA, 2010)
09.926 2070	Octan‐3‐yl formate		4009 84434‐65‐1	Liquid C9H18O2 158.24	Practically insoluble or insoluble Freely soluble	71 (9 hPa) IR NMR MS 98%	1.413–1.417 0.865–0.875	Racemate (EFFA, 2010)

FL‐no: FLAVIS number; FEMA: Flavor and Extract Manufacturers Association; CoE: Council of Europe; CAS: Chemical Abstract Service; ID: identity; MS: mass spectrometry; NMR: nuclear magnetic resonance; IR: infrared spectroscopy.

^aSolubility in water, if not otherwise stated.

^bSolubility in 95% ethanol, if not otherwise stated.

^cAt 1 atm (1,013.25 hPa), if not otherwise stated.

^dAt 20°C, if not otherwise stated.

^eAt 25°C, if not otherwise stated.