EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Supplier Sponsors

CAS Number: 16436-00-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-491-0
FDA UNII: PL4K8GV3K4
Nikkaji Web:J207.937B
MDL:MFCD00059448
XlogP3:3.30 (est)
Molecular Weight:214.30494000
Formula:C12 H22 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
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
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: 258.00 to 259.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.013000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.60 °C. ) (est)
logP (o/w): 3.424 (est)
Soluble in:
 alcohol
 water, 167.5 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Matrix Scientific
For experimental / research use only.
Octyl 3-oxobutanoate
Santa Cruz Biotechnology
For experimental / research use only.
Octyl Acetoacetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Octyl 3-oxobutanoate
TCI AMERICA
For experimental / research use only.
Octyl Acetoacetate
 
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:
information only not used for fragrances or flavors
Recommendation for octyl acetoacetate usage levels up to:
 not for fragrance use.
 
Recommendation for octyl 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :85418
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
octyl 3-oxobutanoate
Chemidplus:0016436003
 
References:
 octyl 3-oxobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):85418
Pubchem (sid):135044698
 
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:2918.30.0090
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetoacetic acid N-octyl ester
 butanoic acid, 3-oxo-, octyl ester
 octyl 3-oxobutanoate
N-octyl acetoacetate
 
 
Notes:
None found
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