octyl isothiocyanate
isothiocyanic acid, octyl ester
Identification
| Name | octyl isothiocyanate |
| IUPAC | 1-isothiocyanatooctane |
| CAS Number | 4430-45-9 |
| EINECS | 224-625-5 |
| FDA UNII | Search |
| Molecular Formula | C9 H17 N S |
| Molecular Weight | 171.30649000 |
| MDL Number | MFCD00041139 |
| Nikkaji Number | J102.365I |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 245.00 to 246.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.045000 mmHg @ 25.00 °C. (est) |
| Flash Point | 215.00 °F. TCC ( 101.50 °C. ) (est) |
| logP (o/w) | 4.700 (est) |
| Soluble in | alcohol |
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 | flavoring agents |
| Recommendation for octyl isothiocyanate usage levels up to | not for fragrance use. |
Potential Uses
Natural Occurrence
Synonyms
octane, 1-isothiocyanato-
octanisothiocyanate
octylisothiocyanate
1-iso
thiocyanatooctan
1-iso
thiocyanatooctane
iso
thiocyanic acid, octyl ester
Try the PubMed Search.