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methyl 2-oxobutanoate
butanoic acid, 2-oxo-, methyl ester

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CAS Number: 3952-66-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J127.885A
Beilstein Number:1749847
MDL:MFCD03093092
XlogP3-AA:0.50 (est)
Molecular Weight:116.11636000
Formula:C5 H8 O3
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
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Google Patents:Search
US Patents:Search
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PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 146.88 °C. @ 760.00 mm Hg (est)
Vapor Pressure:4.541000 mmHg @ 25.00 °C. (est)
Flash Point: 123.00 °F. TCC ( 50.60 °C. ) (est)
logP (o/w): 0.048 (est)
Soluble in:
 water, 2.59e+005 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.
METHYL 2-KETOBUTYRATE, 96 95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 2-oxobutanoate 95%
 
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 methyl 2-oxobutanoate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl 2-oxobutanoate 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 :545127
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 2-oxobutanoate
 
References:
 methyl 2-oxobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):545127
Pubchem (sid):163378804
 
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
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
 passiflora mollissima fruit
Search Trop Picture
 
Synonyms:
 butanoic acid, 2-oxo-, methyl ester
 butyric acid, 2-oxo-, methyl ester
2-ketobutyric acid, methyl ester
 methyl 2-oxobutyrate
 methyl-2-oxobutanoate
 
 
Notes:
None found
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