1-octen-3-yl isobutyrate
propanoic acid, 2-methyl-, 1-ethenylhexyl ester
Identification
| Name | 1-octen-3-yl isobutyrate |
| IUPAC | 1-octen-3-yl 2-methylpropanoate |
| CAS Number | 93940-61-5 |
| EINECS | 300-458-4 |
| FDA UNII | Search |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
| Nikkaji Number | J310.462A |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 243.37 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.032000 mmHg @ 25.00 °C. (est) |
| Flash Point | 207.00 °F. TCC ( 97.10 °C. ) (est) |
| logP (o/w) | 4.344 (est) |
| Soluble in | water, 6.287 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| 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 | information only not used for fragrances or flavors |
| Recommendation for 1-octen-3-yl isobutyrate usage levels up to | not for fragrance use. |
| Recommendation for 1-octen-3-yl isobutyrate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1-
octen-3-yl 2-methylpropanoate
propanoic acid, 2-methyl-, 1-ethenylhexyl ester
1-
vinyl hexyl isobutyrate
1-
vinylhexyl isobutyrate
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