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(E)-3-methyl-5-phenyl-2-pentene nitrile
Notes:
None found
| CAS Number: | 53243-60-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 258-447-4 | |
| Nikkaji Web: | J295.915A | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 171.24261000 | |
| Formula: | C12 H13 N | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 308.00 to 310.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 287.00 °F. TCC ( 141.80 °C. ) (est) |
| logP (o/w): | 3.345 (est) |
| Soluble in: | |
| alcohol | |
| water, 43.83 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: citrus | |
| Odor Strength: | medium |
| Substantivity: | 212 hour(s) at 100.00 % |
| citrus lemon | |
| Odor Description: at 100.00 %. | citric citralva citral lemon |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| None found |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-citrus nitrile 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): | 53243-60-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 1585264 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-3-methyl-5-phenylpent-2-enenitrile | |
| Chemidplus: | 0053243600 |
References:
| (E)-3-methyl-5-phenylpent-2-enenitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53243-60-0 |
| Pubchem (cid): | 1585264 |
| Pubchem (sid): | 135060881 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2926.90.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (E)- | citronitrile |
| (E)- | citrus nitrile |
| (E)-3- | methyl-5-phenyl pent-2-ene nitrile |
| (2E)-3- | methyl-5-phenyl-2-pentene nitrile |
| (E)-3- | methyl-5-phenyl-2-pentene nitrile |
| (E)-3- | methyl-5-phenylpent-2-enenitrile |