methyl 3-oxo-6-octenoate (predominantly trans)
6-octenoic acid, 3-oxo-, methyl ester, (6E)-
Identification
| Name | methyl 3-oxo-6-octenoate (predominantly trans) |
| IUPAC | methyl (E)-3-oxooct-6-enoate |
| CAS Number | 110874-83-4 |
| FDA UNII | Search |
| Molecular Formula | C9 H14 O3 |
| Molecular Weight | 170.20818000 |
| MDL Number | MFCD00075300 |
| Nikkaji Number | J305.770D |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99100 @ 25.00 °C. |
| Refractive Index | 1.45100 @ 20.00 °C. |
| Boiling Point | 237.40 °C. @ 760.00 mm Hg (est) |
| Flash Point | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w) | 1.950 (est) |
| Soluble in | water, 7707 mg/L @ 25 °C (est) |
No sensory data available
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 | information only not used for fragrances or flavors |
| Recommendation for methyl 3-oxo-6-octenoate (predominantly trans) usage levels up to | not for fragrance use. |
| Recommendation for methyl 3-oxo-6-octenoate (predominantly trans) flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
methyl (6E)-3-oxo-6-octenoate
methyl (E)-3-oxo-6-octenoate
methyl (E)-3-oxooct-6-enoate
(E)-3-oxo-6-
octenoic acid methyl ester
6-
octenoic acid, 3-oxo-, methyl ester, (6E)-
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