3-phenyl propionitrile
hydrocinnamonitrile
Identification
| Name | 3-phenyl propionitrile |
| IUPAC | 3-phenylpropanenitrile |
| CAS Number | 645-59-0 |
| EINECS | 211-447-8 |
| FDA UNII | H2Y1JYN13Q |
| Molecular Formula | C9 H9 N |
| Molecular Weight | 131.17773000 |
| MDL Number | MFCD00001961 |
| Nikkaji Number | J45.903H |
| Beilstein | 0636348 |
| XlogP3 | 1.70 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
| Soluble in | water, 1679 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | powerful nasturtium |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-mouse LD50 116 mg/kg |
| Dermal Toxicity | subcutaneous-guinea pig LDLo 150 mg/kg |
| 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-phenyl propionitrile usage levels up to | not for fragrance use. |
| Recommendation for 3-phenyl propionitrile flavor usage levels up to | not for flavor use. |
BOC Sciences
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Potential Uses
Natural Occurrence
Synonyms
benzene propane nitrile
benzene propionitrile
(2-
cyanoethyl) benzene
hydrocinnamic acid nitrile
hydrocinnamonitrile
phenethyl cyanide
phenyl ethyl cyanide
2-
phenyl ethyl cyanide
3-
phenyl propane nitrile
phenyl propionic acid nitrile
phenyl propionitrile
3-
phenylpropanenitrile
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