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2-methyl butyl benzoate
benzoic acid, butyl-, 2-methyl ester

Supplier Sponsors

Name:2-methylbutyl benzoate
CAS Number: 52513-03-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-982-0
FDA UNII: Search
Nikkaji Web:J295.683G
MDL:MFCD06252402
XlogP3:4.00 (est)
Molecular Weight:192.25792000
Formula:C12 H16 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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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
Boiling Point: 259.00 to 260.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.013000 mmHg @ 25.00 °C. (est)
Flash Point: 228.00 °F. TCC ( 108.89 °C. )
logP (o/w): 4.007 (est)
Soluble in:
 alcohol
 water, 31.92 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methylbutyl Benzoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
flavoring agents
Recommendation for 2-methyl butyl benzoate usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):52513-03-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103653
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylbutyl benzoate
Chemidplus:0052513038
 
References:
 2-methylbutyl benzoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):103653
Pubchem (sid):135061002
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
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
 ginger lily white ginger lily
Search Trop Picture
 
Synonyms:
 benzoic acid, butyl-, 2-methyl ester
1-butanol, 2-methyl-, benzoate
2-methyl-1-butanol benzoate
2-methylbutyl benzoate
 
 
Notes:
None found
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