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acetic acid, a-methyl-phenethyl ester
Notes:
None found
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| Fragrance Demo Formulas | ||
| CAS Number: | 2114-33-2 |  3D/inchi
|
| Other(deleted CASRN): | 115630-98-3 | |
| ECHA EINECS - REACH Pre-Reg: | 218-314-3 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J71.021K | |
| MDL: | MFCD01672540 | |
| XlogP3: | 2.60 (est) | |
| Molecular Weight: | 178.23098000 | |
| Formula: | C11 H14 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | colorless clear liquid (est) |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 245.00 to 246.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 217.00 °F. TCC ( 102.78 °C. ) |
| logP (o/w): | 2.652 (est) |
| Soluble in: | |
| water, 157.2 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1-Methyl-2-phenylethyl Acetate |
| TCI AMERICA |
| For experimental / research use only. |
| 1-Methyl-2-phenylethyl Acetate >95.0%(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-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 737, 1982. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 737, 1982. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for methyl benzyl carbinyl acetate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Recommendation for methyl benzyl carbinyl acetate 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): | 2114-33-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16457 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-phenylpropan-2-yl acetate | |
| Chemidplus: | 0002114332 |
| RTECS: | AI9316000 for cas# 2114-33-2 |
References:
| 1-phenylpropan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2114-33-2 |
| Pubchem (cid): | 16457 |
| Pubchem (sid): | 134982524 |
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: | 2915.39.3500 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetic acid, a-methyl-phenethyl ester | |
| 2- | acetoxy-1-phenyl propane |
| 2- | acetoxy-1-phenylpropane |
| benzeneethanol, a-methyl-, acetate | |
| benzyl methyl carbinyl acetate | |
| benzylmethylcarbinyl acetate | |
| alpha- | methyl phenethyl acetate |
| 1- | methyl-2-phenylethyl acetate |
| alpha- | methyl-beta-phenyl ethyl acetate |
| methylbenzylcarbinyl acetate | |
| a- | methylphenethyl acetate |
| phenethyl alcohol, a-methyl-, acetate | |
| 1- | phenyl-2-propanol acetate |
| 1- | phenylpropan-2-yl acetate |