3-methyl-3-buten-2-ol
3-buten-2-ol, 3-methyl-
Identification
| Name | 3-methyl-3-buten-2-ol |
| CAS Number | 10473-14-0 |
| EINECS | 233-964-8 |
| FDA UNII | KG8M3UNR9E |
| Molecular Formula | C5 H10 O |
| Molecular Weight | 86.13390000 |
| Nikkaji Number | J102.083H |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 114.00 to 115.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 11.079000 mmHg @ 25.00 °C. (est) |
| Flash Point | 85.00 °F. TCC ( 29.60 °C. ) (est) |
| logP (o/w) | 0.900 (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 | natural substances and extractives |
| Recommendation for 3-methyl-3-buten-2-ol usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl-3-buten-2-ol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-
buten-2-ol, 3-methyl-
3-
hydroxy-2-methyl-1-butene
methyl isopropenyl carbinol
3-
methylbut-3-en-2-ol
PubMed:
Synthesis of short-chain diols and unsaturated alcohols from secondary alcohol substrates by the Rieske nonheme mononuclear iron oxygenase MdpJ.
PubMed:
A density-functional study of the mechanism for the diastereoselective epoxidation of chiral allylic alcohols by the titanium peroxy complexes.
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Epoxidation of acyclic chiral allylic alcohols with peroxy acids: spiro or planar butterfly transition structures? A computational DFT answer