isopropyl 3,5,5-trimethyl hexanoate
hexanoic acid, 3,5,5-trimethyl-, 1-methylethyl ester
Identification
| Name | isopropyl 3,5,5-trimethyl hexanoate |
| IUPAC | propan-2-yl 3,5,5-trimethylhexanoate |
| CAS Number | 53451-16-4 |
| EINECS | 258-563-5 |
| FDA UNII | Search |
| Molecular Formula | C12 H24 O2 |
| Molecular Weight | 200.32168000 |
| Nikkaji Number | J295.959C |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 202.00 to 203.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.293000 mmHg @ 25.00 °C. (est) |
| Flash Point | 174.00 °F. TCC ( 78.80 °C. ) (est) |
| logP (o/w) | 4.295 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
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 isopropyl 3,5,5-trimethyl hexanoate usage levels up to | not for fragrance use. |
| Recommendation for isopropyl 3,5,5-trimethyl hexanoate flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
Synonyms
hexanoic acid, 3,5,5-trimethyl-, 1-methylethyl ester
propan-2-yl 3,5,5-trimethylhexanoate
iso
propyl 3,5,5-trimethylhexanoate
Try the PubMed Search.