Articles:
hydrocinnamonitrile
Notes:
Constit. of Brassica napus (rape seed) and Nasturtium officinale (water cress)
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| CAS Number: | 645-59-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 211-447-8 | |
| FDA UNII: | H2Y1JYN13Q | |
| Nikkaji Web: | J45.903H | |
| Beilstein Number: | 0636348 | |
| MDL: | MFCD00001961 | |
| XlogP3: | 1.70 (est) | |
| Molecular Weight: | 131.17773000 | |
| Formula: | C9 H9 N | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
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 |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Phenylpropionitrile |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Phenylpropionitrile |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Phenylpropionitrile 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Phenylpropionitrile >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
oral-mouse LD50 116 mg/kg Archives of Toxicology. Vol. 55, Pg. 47, 1984. intravenous-rabbit LDLo 39 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
| Dermal Toxicity: | |
|
subcutaneous-guinea pig LDLo 150 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| 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. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 645-59-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12581 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-phenylpropanenitrile | |
| Chemidplus: | 0000645590 |
| RTECS: | MW5604750 for cas# 645-59-0 |
References:
| 3-phenylpropanenitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12581 |
| Pubchem (sid): | 134976787 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB34236 |
| FooDB: | FDB012548 |
| Export Tariff Code: | 2926.90.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| hyacinth | FR | |
| watercress nasturtium |
Occurrence (nature, food, other): note
| kale siberian kale seed Search Trop Picture | |
| mustard white mustard Search Trop Picture | |
| watercress Search Trop Picture |
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 |