benzonitrile
phenylcyanide
Identification
| Name | benzonitrile |
| IUPAC | benzonitrile |
| CAS Number | 100-47-0 |
| EINECS | 202-855-7 |
| FDA UNII | 9V9APP5H5S |
| Molecular Formula | C7 H5 N |
| Molecular Weight | 103.12385000 |
| MDL Number | MFCD00001770 |
| Nikkaji Number | J3.590D |
| Beilstein | 506893 |
| XlogP3 | 1.60 (est) |
Regulatory
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -14.00 to -12.00 °C. @ 760.00 mm Hg |
| Boiling Point | 191.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.768000 mmHg @ 25.00 °C. |
| Flash Point | 159.00 °F. TCC ( 70.56 °C. ) |
| logP (o/w) | 1.560 |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen., store under nitrogen. |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Substantivity | 4 Hour(s) |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-rat LD50 740 mg/kg |
| Dermal Toxicity | skin-rat LD50 1200 mg/kg |
| Inhalation Toxicity | inhalation-mouse LC50 1800 mg/m3 |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'LUNGS, THORAX, OR RESPIRATION: DYSPNEA\nCARDIAC: OTHER CHANGES\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE', 'LUNGS, THORAX, OR RESPIRATION: DYSPNEA\nBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE']
Safety in Use
| Category | cosmetic fragrance agents and aromatic raw materials |
| Recommendation for benzonitrile usage levels up to | not for fragrance use. |
| Recommendation for benzonitrile flavor usage levels up to | not for flavor use. |
Glentham Life Sciences Ltd
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Penta International Corporation
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Vigon International
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Manufacturer and supplier of high quality flavor and fragrance ingredients.