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hexyl acetoacetate
butanoic acid, 3-oxo-, hexyl ester

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Name:hexyl 3-oxobutanoate
CAS Number: 13562-84-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:236-953-6
FDA UNII: Search
Nikkaji Web:J150.351K
XlogP3:2.20 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
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
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.059000 mmHg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 2.405 (est)
Soluble in:
 water, 1608 mg/L @ 25 °C (est)
Insoluble in:
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isobutyl acetoacetate
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cyclohexyl acetoacetate
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ethyl acetoacetate
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Butanoic acid, 3-oxo-,hexyl ester 95%
Santa Cruz Biotechnology
For experimental / research use only.
Hexyl Acetoacetate
For experimental / research use only.
Hexyl Acetoacetate >97.0%(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
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:
information only not used for fragrances or flavors
Recommendation for hexyl acetoacetate usage levels up to:
 not for fragrance use.
Recommendation for hexyl acetoacetate 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):13562-84-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :83577
National Institute of Allergy and Infectious Diseases:Data
hexyl 3-oxobutanoate
 hexyl 3-oxobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):83577
Pubchem (sid):135040297
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:2915.39.9050
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 butanoic acid, 3-oxo-, hexyl ester
 hexyl 3-ketobutyrate
 hexyl 3-oxobutanoate
None found
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