(S)-4-phenyl-2-butanol
benzenepropanol, a-methyl-, (aS)-
 
Notes:
None found
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CAS Number: 22148-86-3Picture of molecule3D/inchi
FDA UNII: EJP87N3Z5V
Nikkaji Web: J63.772F
MDL: MFCD03093082
XlogP3-AA: 2.30 (est)
Molecular Weight: 150.22078000
Formula: C10 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 246.00 to  247.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.015000 mmHg @ 25.00 °C. (est)
Flash Point: 223.00 °F. TCC ( 106.20 °C. ) (est)
logP (o/w): 2.131 (est)
Soluble in:
 alcohol
 water, 1885 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
(S)-(+)-4-Phenyl-2-butanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
(S)-(+)-4-Phenyl-2-butanol 98%, optical purity 99% (ee) (GLC)
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for (S)-4-phenyl-2-butanol usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-4-phenyl-2-butanol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6994425
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 (2S)-4-phenylbutan-2-ol
Chemidplus: 0022148863
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References:
 (2S)-4-phenylbutan-2-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6994425
Pubchem (sid): 43596674
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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
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzenepropanol, a-methyl-, (aS)-
(S)-2-hydroxy-4-phenyl butane
(S)-methyl 2-phenyl ethyl carbinol
(S)-alpha-methyl benzene propanol
(S)-methyl phenethyl carbinol
(S)-methyl phenyl ethyl carbinol
(S)-phenethyl methyl carbinol
(S)-4-phenyl butan-2-ol
(S)-phenyl ethyl methyl carbinol
(S)-1-phenyl-3-butanol
(2S)-4-phenylbutan-2-ol
(S)-(+)-4-phenylbutan-2-ol
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Articles:
PubMed: Online capillary solid-phase microextraction coupled liquid chromatography-mass spectrometry for analysis of chiral secondary alcohol products in yeast catalyzed stereoselective reduction cell culture.
PubMed: Acetophenone reductase with extreme stability against a high concentration of organic compounds or an elevated temperature.
PubMed: A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone.
PubMed: Aminocyclopentadienyl ruthenium complexes as racemization catalysts for dynamic kinetic resolution of secondary alcohols at ambient temperature.
PubMed: Stable isotope characterization of raspberry ketone extracted from Taxus baccata and obtained by oxidation of the accompanying alcohol (Betuligenol).
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