3-methyl-1-nitrobutane
butane, 3-methyl-1-nitro-
Identification
| Name | 3-methyl-1-nitrobutane |
| CAS Number | 627-67-8 |
| EINECS | 211-008-0 |
| FDA UNII | 2044IXU3WI |
| Molecular Formula | C5 H11 N O2 |
| Molecular Weight | 117.14807000 |
| Nikkaji Number | J86.369F |
Regulatory
Physical Properties
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 97.00 °C. @ 760.00 mm Hg |
| Boiling Point | 163.00 to 165.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 2.905000 mmHg @ 25.00 °C. (est) |
| Flash Point | 115.00 °F. TCC ( 46.11 °C. ) |
| logP (o/w) | 1.800 (est) |
| Soluble in | water, 1093 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 | natural substances and extractives |
| Recommendation for 3-methyl-1-nitrobutane usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl-1-nitrobutane flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
butane, 3-methyl-1-nitro-
1-
nitro-3-methyl butane
PubMed:
Volatile components of green walnut husks.
PubMed:
Evaluation of secondary nitroalkanes, their nitronates, primary nitroalkanes, nitrocarbinols, and other aliphatic nitro compounds in the Ames Salmonella assay.