2-butyl acrolein
hexanal, 2-methylene-
Identification
| Name | 2-butyl acrolein |
| IUPAC | 2-methylidenehexanal |
| CAS Number | 1070-66-2 |
| EINECS | 213-978-0 |
| FDA UNII | Search |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00051593 |
| Nikkaji Number | J217.185F |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84300 @ 25.00 °C. |
| Boiling Point | 138.00 to 139.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 6.710000 mmHg @ 25.00 °C. (est) |
| Flash Point | 92.00 °F. TCC ( 33.30 °C. ) (est) |
| logP (o/w) | 2.210 (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-butyl acrolein usage levels up to | not for fragrance use. |
| Recommendation for 2-butyl acrolein flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2-
butylacrolein
2-N-
butylacrolein
hexanal, 2-methylene-
2-
methylene hexanal
2-
methylenehexanal
2-
methylidenehexanal
PubMed:
The influence of the solvents DMSO and ethanol on the genotoxicity of alpha,beta-unsaturated aldehydes in the SOS chromotest.
PubMed:
Mutagenicity of 2-alkylpropenals in Salmonella typhimurium strain TA 100: structural influences.
PubMed:
Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.