palmitonitrile
nitriles, C16 and C18-unsatd.
Identification
| Name | palmitonitrile |
| IUPAC | hexadecanenitrile |
| CAS Number | 629-79-8 |
| EINECS | 211-110-5 |
| FDA UNII | NU03440G5D |
| Molecular Formula | C16 H31 N |
| Molecular Weight | 237.43007000 |
| MDL Number | MFCD01310359 |
| Nikkaji Number | J99.781A |
| XlogP3 | 6.90 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 31.00 °C. @ 760.00 mm Hg |
| Boiling Point | 333.00 °C. @ 760.00 mm Hg |
| Flash Point | 271.00 °F. TCC ( 132.80 °C. ) (est) |
| logP (o/w) | 6.990 (est) |
| Soluble in | water, 0.02696 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 palmitonitrile usage levels up to | not for fragrance use. |
| Recommendation for palmitonitrile flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1-
cyanopentadecane
hexadecane nitrile
hexadecanenitrile
hexadecanonitrile
nitriles, C16 and C18-unsatd.
palmitic acid nitrile
palmitic acid, nitrile
palmitonitril
palmitonitrile (8CI)
PubMed:
Solubility predictions for solid nitriles and tertiary amides based on the mobile order theory.