2-methyl-2-hexenoic acid
2-hexenoic acid, 2-methyl-, (2E)-
Identification
| Name | 2-methyl-2-hexenoic acid |
| IUPAC | (E)-2-methylhex-2-enoic acid |
| CAS Number | 28897-58-7 |
| EINECS | 249-294-4 |
| FDA UNII | Search |
| Molecular Formula | C7 H12 O2 |
| Molecular Weight | 128.17104000 |
| MDL Number | MFCD00015855 |
| Nikkaji Number | J286.475D |
Regulatory
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95700 to 0.96700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.963 to 8.046 |
| Refractive Index | 1.45600 to 1.46600 @ 20.00 °C. |
| Boiling Point | 130.00 °C. @ 20.00 mm Hg, 105.00 °C. @ 5.00 mm Hg |
| Vapor Pressure | 0.105000 mmHg @ 25.00 °C. (est) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 2.095 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description |
at 100.00 %. A pleasant fruity cheese aroma
|
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 2-methyl-2-hexenoic acid usage levels up to | 0.5000 % in the fragrance concentrate. |
| Recommendation for 2-methyl-2-hexenoic acid flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
2-
hexenoic acid, 2-methyl-
2-
hexenoic acid, 2-methyl-, (2E)-
(E)-2-
methyl hex-2-enoic acid
2-
methyl hex-2-enoic acid
2-
methyl-2-hexenoicacid
2-
methyl-2E-hexenoic acid
(2E)-2-
methylhex-2-enoic acid
(E)-2-
methylhex-2-enoic acid
2-
methylhex-2-enoic acid
PubMed:
Adsorption behavior of salicylic, benzoic, and 2-methyl-2-hexenoic acid on alumina: an in situ modulation excitation PM-IRRAS study.
PubMed:
Hydrogen-bonding interactions in cinchonidine-2-methyl-2-hexenoic acid complexes: a combined spectroscopic and theoretical study.
PubMed:
Anaerobic degradation of n-hexane in a denitrifying bacterium: further degradation of the initial intermediate (1-methylpentyl)succinate via C-skeleton rearrangement.