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benzeneethanol, a-methyl-
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| CAS Number: | 698-87-3 |  3D/inchi
|
| Other(deleted CASRN): | 14898-87-4 | |
| ECHA EINECS - REACH Pre-Reg: | 211-821-0 | |
| FDA UNII: | 300Y7TB8EY | |
| Nikkaji Web: | J69.579C | |
| Beilstein Number: | 1858667 | |
| MDL: | MFCD00004540 | |
| XlogP3: | 2.00 (est) | |
| Molecular Weight: | 136.19384000 | |
| Formula: | C9 H12 O | |
| 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:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99200 to 0.99400 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.264 to 8.281 |
| Refractive Index: | 1.52000 to 1.52300 @ 20.00 °C. |
| Boiling Point: | 73.00 to 74.00 °C. @ 0.50 mm Hg |
| Boiling Point: | 219.00 to 220.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.015000 mmHg (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) (est) |
| logP (o/w): | 1.970 |
| Soluble in: | |
| water, 5838 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | low |
| rose floral | |
| Odor Description: at 100.00 %. | weak rose |
| Flavor Type: fruity | |
| sweet pineapple | |
| Taste Description: | sweet pineapple |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1-Phenyl-2-propanol 95% |
| Frinton Laboratories |
| For experimental / research use only. |
| 1-Phenyl-2-propanol |
| Penta International |
| 1-PHENYL-2-PROPANOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1-Phenyl-2-propanol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1-Phenyl-2-propanol 98% |
| Synerzine |
| 1-phenyl-2-propanol |
| TCI AMERICA |
| For experimental / research use only. |
| 1-Phenyl-2-propanol >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: | |
|
intraperitoneal-mouse LD50 520 mg/kg BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: ATAXIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for methyl benzyl carbinol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl benzyl carbinol 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): | 698-87-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 94185 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1-phenylpropan-2-ol | |
| Chemidplus: | 0000698873 |
| RTECS: | SG8589500 for cas# 698-87-3 |
References:
| 1-phenylpropan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 698-87-3 |
| Pubchem (cid): | 94185 |
| Pubchem (sid): | 135051439 |
| Pherobase: | View |
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: | 2906.29.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| apricot | FR | |
| chestnut blossom | FR | |
| peach | FR | |
| pineapple | FR |
Occurrence (nature, food, other): note
| ficus punctata Search Trop Picture |
Synonyms:
| benzeneethanol, a-methyl- | |
| benzyl methyl carbinol | |
| benzylethyl alcohol | |
| 2- | hydroxy-1-phenyl propane |
| 2- | hydroxy-1-phenylpropane |
| alpha- | methyl benzene ethanol |
| alpha- | methyl phenethyl alcohol |
| a- | methylbenzeneethanol |
| a- | methylphenethyl alcohol |
| phenethyl alcohol, a-methyl- | |
| 1- | phenyl-2-propanol |
| 1- | phenylpropan-2-ol |
| propan-2-ol, 1-phenyl- | |
| 2- | propanol, 1-phenyl- |