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1-phenyl-2-butanone
butan-2-one, 1-phenyl-

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Name:1-phenylbutan-2-one
CAS Number: 1007-32-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-752-1
FDA UNII:1AKG6904VP
Nikkaji Web:J1.757D
Beilstein Number:1100022
MDL:MFCD00009315
XlogP3:1.90 (est)
Molecular Weight:148.20484000
Formula:C10 H12 O
NMR Predictor:Predict (works with chrome 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:0.98800 to 0.99400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.231 to 8.281
Refractive Index:1.50900 to 1.51300 @ 20.00 °C.
Boiling Point: 230.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.075000 mm/Hg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.279 (est)
Soluble in:
 alcohol
 water, 1625 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: earthy
earthy green
Taste Description: earthy green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
1-Phenyl-2-butanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Phenyl-2-butanone 98%
TCI AMERICA
For experimental / research use only.
1-Phenyl-2-butanone >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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for 1-phenyl-2-butanone usage levels up to:
 not for fragrance use.
 
Recommendation for 1-phenyl-2-butanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13879
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-phenylbutan-2-one
Chemidplus:0001007325
 
References:
 1-phenylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13879
Pubchem (sid):134979916
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
FooDB:FDB004444
Export Tariff Code:2914.39.9000
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
 kleinia odora
Search Trop Picture
 tea leaf
Search Trop Picture
 
Synonyms:
 benzyl ethyl ketone
 butan-2-one, 1-phenyl-
2-butanone, 1-phenyl-
 ethyl benzyl ketone
1-phenyl butan-2-one
1-phenylbutan-2-one
 

Articles:

US Patents:3,952,024 - Furfurylthioacetone
PubMed:Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
US Patents:Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Mutation of Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase at Trp-110 affects stereoselectivity of aromatic ketone reduction.
PubMed:Carbohydrate-appended tumor targeting iron(III) complexes showing photocytotoxicity in red light.
PubMed:Cornflower (Centaurea cyanus L.) honey quality parameters: chromatographic fingerprints, chemical biomarkers, antioxidant capacity and others.
PubMed:Detection of buphedrone in biological and non-biological material--two case reports.
PubMed:A smart palladium catalyst in ionic liquid for tandem processes.
PubMed:Ionic liquid catalysed synthesis of β-hydroxy ketones.
PubMed:Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
PubMed:Identification of new impurities of enalapril maleate on oxidation in the presence of magnesium monoperoxyphthalate.
PubMed:Comparison of the volatile composition in thyme honeys from several origins in Greece.
PubMed:Total synthesis of natural product (R)-4-phenyl-2-O-[beta-D-xylopyranosyl(1-->6)-beta-D-glucopyranosyl]butane and its epimer.
PubMed:Enhanced fluorescence of 3-(naphthalene-2-ylimino)-1-phenylbutan-1-one-Tb with 1,10-phenanthroline ternary system and its analytical application.
PubMed:Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.
PubMed:Generation of odorous acyloins by yeast pyruvate decarboxylases and their occurrence in sherry and soy sauce.
PubMed:Synthesis and immunotropic activity of some 2-aminobenzimidazoles, Part 4.
PubMed:Kurasoins A and B, new protein farnesyltransferase inhibitors produced by Paecilomyces sp. FO-3684. II. Structure elucidation and total synthesis.
PubMed:Inhibition of pig liver esterase by trifluoromethyl ketones: modulators of the catalytic reaction alter inhibition kinetics.
PubMed:In vitro metabolism of phenylacetone, phenyl-2-butanone, and 3-methyl-1-phenyl-2-butanone by rabbit liver preparations.
 
Notes:
None found
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