heptane nitrile
hexyl cyanide
Identification
| Name | heptane nitrile |
| IUPAC | heptanenitrile |
| CAS Number | 629-08-3 |
| EINECS | 211-071-4 |
| FDA UNII | UA4Z3QT98A |
| Molecular Formula | C7 H13 N |
| Molecular Weight | 111.18761000 |
| MDL Number | MFCD00039503 |
| Nikkaji Number | J45.667E |
| XlogP3 | 2.20 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81100 to 0.81300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.756 to 6.773 |
| Refractive Index | 1.41300 to 1.41500 @ 20.00 °C. |
| Melting Point | -64.00 °C. @ 760.00 mm Hg |
| Boiling Point | 183.00 °C. @ 760.00 mm Hg, 186.00 to 187.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.726000 mmHg (est) |
| Flash Point | 141.00 °F. TCC ( 60.50 °C. ) (est) |
| logP (o/w) | 2.214 (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 heptane nitrile usage levels up to | not for fragrance use. |
| Recommendation for heptane nitrile flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
1-
cyanohexane
enanthonitrile
heptane-1-nitrile
heptanenitrile
N-
heptanenitrile
N-
heptanoic acid nitrile
heptanonitrile
heptyl nitrile
hexyl cyanide
Try the PubMed Search.