| Identification | Back Directory | [Name]
Methyl hex-3-enoate | [CAS]
2396-78-3 | [Synonyms]
FEMA 3364
Fema no. 3364
Einecs 219-256-1
METHYL-3-HEXENOATE
METHYL 3 HEXANOATE
88+%trans-isomeres
METHYL T3 HEXENOATE
methyl hex-3-enoate
Methyl hydrosorbate
Methyl (3E)-3-hexenoate
METHYL TRANS-3-HEXENOATE
3-Hexenoicacid,methylester
Hydrosorbic acid, methyl ester
Methyl 3-hexenoate, predominantly trans
Methyl 3-hexenoate,95+%,predominantly trans
METHYL 3-HEXENOATE, PREDOMINANTLY TRANS, 95+% | [EINECS(EC#)]
219-256-1 | [Molecular Formula]
C7H12O2 | [MDL Number]
MFCD00672771 | [MOL File]
2396-78-3.mol | [Molecular Weight]
128.17 |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to faintly yellow liquid | [Melting point ]
-62.68°C (estimate) | [Boiling point ]
169 °C | [density ]
0.913 | [FEMA ]
3364 | METHYL 3-HEXENOATE | [refractive index ]
1.4260 | [Fp ]
115 ºF | [storage temp. ]
Flammables area | [form ]
Liquid | [color ]
Clear colorless to faintly yellow | [Odor]
at 10.00 % in dipropylene glycol. earthy sweet slightly fruity | [biological source]
synthetic | [Odor Type]
earthy | [JECFA Number]
334 | [Major Application]
flavors and fragrances | [InChI]
1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+ | [InChIKey]
XEAIHUDTEINXFG-SNAWJCMRSA-N | [SMILES]
CC\C=C\CC(=O)OC | [LogP]
2.38 | [NIST Chemistry Reference]
3-Hexenoic acid, methyl ester(2396-78-3) | [EPA Substance Registry System]
3-Hexenoic acid, methyl ester(2396-78-3) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to faintly yellow liquid | [Description]
Prepared by selective hydrogenation of methyl sorbate; from
3-hexenoic acid and methanol in the presence of BF3. | [Occurrence]
Reported found as a volatile component in cayenne and pineapple. Also reported found in prickly pear, soursop, mountain papaya, guava and Virginia tobacco. | [Aroma threshold values]
Aroma characteristics at 1.0%: sweet sharp green, juicy fresh fruity with tropical and vegetative
nuances. | [Taste threshold values]
Taste characteristics at 5 ppm: sweet green, banana-like, slightly acidic with fruity nuances of pineapple,
pear, apple and passion fruit | [Synthesis Reference(s)]
Chemistry Letters, 11, p. 715, 1982
The Journal of Organic Chemistry, 51, p. 537, 1986 DOI: 10.1021/jo00354a027 |
| Safety Data | Back Directory | [Risk Statements ]
10 | [Safety Statements ]
16 | [RIDADR ]
UN 3272 | [WGK Germany ]
3 | [TSCA ]
TSCA listed | [HS Code ]
29161900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
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