2-methyl octanoic acid
octanoic acid, 2-methyl-
Identification
| Name | 2-methyl octanoic acid |
| IUPAC | 2-methyloctanoic acid |
| CAS Number | 3004-93-1 |
| EINECS | 221-104-4 |
| FDA UNII | J9RJN5ZZ0S |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
| MDL Number | MFCD00195640 |
| Nikkaji Number | J205.301B |
| XlogP3 | 3.40 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 253.00 to 254.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point | 265.00 °F. TCC ( 129.70 °C. ) (est) |
| logP (o/w) | 3.089 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
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 | natural substances and extractives |
| Recommendation for 2-methyl octanoic acid usage levels up to | not for fragrance use. |
| Recommendation for 2-methyl octanoic acid flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
alpha-
methyl caprylic acid
alpha-
methylcaprylic acid
2-
methyloctanoic acid
octanoic acid, 2-methyl-
PubMed:
Methyl-branched octanoic acids as substrates for lipase-catalyzed reactions.
PubMed:
Catabolism of 2-methyloctanoic acid and 3beta-hydroxycholest-5-en-26-oic acid.