Articles:
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benzeneacetonitrile, 2-methyl- (9CI)
Notes:
None found
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| CAS Number: | 22364-68-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 244-937-5 | |
| FDA UNII: | P36Y8LY38Y | |
| Nikkaji Web: | J55.009D | |
| Beilstein Number: | 0907182 | |
| MDL: | MFCD00001904 | |
| XlogP3: | 2.10 (est) | |
| Molecular Weight: | 131.17773000 | |
| Formula: | C9 H9 N | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge 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 |
| Specific Gravity: | 1.01000 to 1.01400 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.414 to 8.447 |
| Refractive Index: | 1.52600 to 1.52800 @ 20.00 °C. |
| Boiling Point: | 244.00 °C. @ 760.00 mm Hg |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 1.910 (est) |
| Soluble in: | |
| water, 780.3 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| o-Methylphenylacetonitrile;o-Methylbenzyl cyanide 95% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| o-Tolylacetonitrile 98% |
| TCI AMERICA |
| For experimental / research use only. |
| o-Xylyl Cyanide >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: | |
|
intravenous-mouse LD50 56 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02089 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 2-methyl benzyl cyanide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2-methyl benzyl cyanide flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 31155 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2-(2-methylphenyl)acetonitrile | |
| Chemidplus: | 0022364687 |
| RTECS: | AM2290000 for cas# 22364-68-7 |
References:
| 2-(2-methylphenyl)acetonitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 31155 |
| Pubchem (sid): | 134995007 |
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 |
| KEGG (GenomeNet): | C02596 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2926.90.4800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| acetonitrile, o-tolyl- | |
| benzene acetonitrile, 2-methyl- | |
| benzeneacetonitrile, 2-methyl- | |
| benzeneacetonitrile, 2-methyl- (9CI) | |
| 2-(2- | methyl phenyl) acetonitrile |
| 2- | methylbenzeneacetonitrile |
| 2- | methylbenzyl cyanide |
| o- | methylbenzyl cyanide |
| o- | methylbenzylcyanide |
| 2-(2- | methylphenyl)acetonitrile |
| 2- | methylphenylacetonitrile |
| o- | methylphenylacetonitrile |
| o- | tolyl acetonitrile |
| o- | tolylacetonitrile |