hexyl acetoacetate
butanoic acid, 3-oxo-, hexyl ester
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      13562-84-0 Butanoic acid, 3-oxo-,hexyl ester 95%
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      A0913 Hexyl Acetoacetate >97.0%(GC)
       
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CAS Number: 13562-84-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 236-953-6
Nikkaji Web: J150.351K
MDL: MFCD00059440
XlogP3: 2.20 (est)
Molecular Weight: 186.25106000
Formula: C10 H18 O3
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:
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
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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:
 alcohol
 water, 1608 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
amyl acetoacetate
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bergamot acetoacetate
butyl acetoacetate
isobutyl acetoacetate
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cyclohexyl acetoacetate
dodecyl acetoacetate
ethyl 2-ethyl acetoacetate
ethyl acetoacetate
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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:
BOC Sciences
For experimental / research use only.
Butanoic acid, 3-oxo-,hexyl ester 95%
Santa Cruz Biotechnology
For experimental / research use only.
Hexyl Acetoacetate
TCI AMERICA
For experimental / research use only.
Hexyl Acetoacetate >97.0%(GC)
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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 hexyl acetoacetate usage levels up to:
 not for fragrance use.
 
Recommendation for hexyl acetoacetate flavor usage levels up to:
 not for flavor use.
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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
Chemidplus: 0013562840
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References:
 hexyl 3-oxobutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 83577
Pubchem (sid): 135040297
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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
Export Tariff Code: 2915.39.9050
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:
 butanoic acid, 3-oxo-, hexyl ester
 hexyl 3-ketobutyrate
 hexyl 3-oxobutanoate
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