Table A.1.

Specification summary of the substances in the flavouring group evaluation 201 revision 2 (JECFA, 2003; EFFA, 2018)

FL‐no JECFA‐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	Comments
02.174 1617	2‐Methylbut‐2‐en‐1‐ol		– 10258 4675‐87‐0	Liquid C5H10O 86.13	– Freely soluble	137 – – 95%	1.439–1.445 0.863–0.869
05.033 1216	2‐Ethylhept‐2‐enal		2438 120 10031‐88‐6	Liquid C9H16O 140.23	Insoluble Soluble	55–60 (5 hPa) – NMR 97%	1.460–1.466 0.891–0.898
05.090 1209	2‐Methylpent‐2‐enal		3194 2129 623‐36‐9	Liquid C6H10O 98.15	Insoluble Soluble	137 – IR MS 95%	1.445–1.453 0.855–0.865	Mainly E‐isomer (> 90%). Secondary components (E) and (Z)‐2‐methyl‐2‐pentenoic acid (< 0.5% in fresh samples, up to 1% in samples after storage)
05.095 1201	2‐Methylcrotonaldehyde		3407 2281 497‐03‐0	Liquid C5H8O 84.12	Slightly soluble Soluble	117–118 – IR NMR 95%	1.445–1.450 0.868–0.873 (20°)	Mainly E‐isomer (> 95%). Secondary components: acetic acid (up to 0.1%), tiglic acid (up to 0.5%) and paraldehyde (up to 1%) (i.e. 2,4,6‐trimethyl‐1,3,5‐trioxane, which is a condensation product – cyclic ether)
05.105 1214	2‐Butylbut‐2‐enal		3392 10324 25409‐08‐9	Liquid C8H14O 126.20	Insoluble Soluble	50 (18 hPa) – NMR 97%	1.447–1.453 1.449–1.459 (20°)
05.107 1215	2‐Isopropyl‐5‐methylhex‐2‐enal		3406 10361 35158‐25‐9	Liquid C10H18O 154.25	Insoluble Soluble	189 – NMR 95%	1.448–1.454 0.840–0.846
05.126 1217	2‐Methyloct‐2‐enal		3711 10363 49576‐57‐0	Liquid C9H16O 140.23	Insoluble Soluble	70–75 (10 hPa) – IR 96%	1.449–1.459 0.872–0.882
05.130	alpha‐Sinensal		3141 10380 17909‐77‐2	– – 218.34				Substance not in the Register
05.178 1227	beta‐Sinensal		3141 10381 60066‐88‐8	Liquid C15H22O 218.34	Insoluble Soluble	180 (1 hPa) – NMR 99%	1.504–1.513 0.917–0.923	Substance not supported by industry
07.261	4‐Methyl‐3‐hepten‐5‐one		22319‐31‐9	Liquid C8H14O 126.20	Insoluble Freely soluble	179 – MS 96.12%	1.442–1.462 0.851–0.871	Substance from FGE.204
09.177 1207	2‐Methylallyl butyrate		2678 572 7149‐29‐3	Liquid C8H14O2 142.20	Insoluble Soluble	168 – NMR97%	1.422–1.428 0.873–0.883	Substance not supported by industry
09.931 1226	2,6‐Dimethyl‐2,5,7‐octatriene‐1‐ol acetate		3886 – 999999‐91‐4	Liquid C12H18O2 194.28	Insoluble Soluble	70 (3 hPa) – IR NMR MS 96%	1.490–1.500 0.937–0.947	Substance already evaluated in FGE.207
12.065 471	2,8‐Dithianon‐4‐en‐4‐carboxaldehyde		3483 11904 59902‐01‐1	Liquid C8H14OS2 190.32	Slightly soluble	104–105 (13 hPa) – IR NMR 98%	1.557–1.567 1.105–1.107	Substance from FGE.225
12.079 470	2‐(Methylthiomethyl)but‐2‐enal		3601 11549 40878‐72‐6	Liquid C6H10OS 130.21	Insoluble	77 (7 hPa) – 99%	1.5228–1.5328 0.982–0.987	Substance from FGE.225

FL‐no: FLAVIS number; JECFA: Joint FAO/WHO Expert Committee on Food Additives; FEMA: Flavor and Extract Manufacturers Association; CoE: Council of Europe; CAS: Chemical Abstract Service; ID: Identity; NMR: nuclear magnetic resonance; IR: infrared; MS: mass spectrometry.

^aSolubility in water, if not otherwise stated.

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

^cAt 1,013.25 hPa, if not otherwise stated.

^dAt 20°C, if not otherwise stated.

^eAt 25°C, if not otherwise stated.