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heptyl acetoacetate
acetoacetic acid N-heptyl ester

Sponsors

Name:heptyl 3-oxobutanoate
CAS Number: 42598-96-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:255-906-0
Nikkaji Web:J207.938K
MDL:MFCD00027313
XlogP3:2.80 (est)
Molecular Weight:200.27800000
Formula:C11 H20 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
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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: 245.00 to 247.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.028000 mm/Hg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.33 °C. )
logP (o/w): 2.915 (est)
Soluble in:
 alcohol
 water, 520.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
Heptyl Acetoacetate
Santa Cruz Biotechnology
For experimental / research use only.
Heptyl Acetoacetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptyl Acetoacetate
TCI AMERICA
For experimental / research use only.
Heptyl Acetoacetate >95.0%(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
 
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 heptyl acetoacetate usage levels up to:
 not for fragrance use.
 
Recommendation for heptyl acetoacetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95760
National Institute of Allergy and Infectious Diseases:Data
heptyl 3-oxobutanoate
Chemidplus:0042598969
 
References:
 heptyl 3-oxobutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):95760
Pubchem (sid):135052542
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:2918.99.5000
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-heptyl ester
 butanoic acid, 3-oxo-, heptyl ester
 heptyl 3-oxobutanoate
 

Articles:

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Notes:
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