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3-methyl-4-octanone
4-octanone, 3-methyl-

Supplier Sponsors

Name:3-methyloctan-4-one
CAS Number: 20754-04-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J940.226H
MDL:MFCD00027239
XlogP3-AA:2.70 (est)
Molecular Weight:142.24166000
Formula:C9 H18 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
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: 174.00 to 175.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:1.232000 mmHg @ 25.00 °C. (est)
Flash Point: 136.00 °F. TCC ( 57.60 °C. ) (est)
logP (o/w): 2.859 (est)
Soluble in:
 alcohol
 water, 457.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-4-octanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-4-octanone
 
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:
natural substances and extractives
Recommendation for 3-methyl-4-octanone usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl-4-octanone 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 :4075149
National Institute of Allergy and Infectious Diseases:Data
3-methyloctan-4-one
Chemidplus:0020754045
 
References:
 3-methyloctan-4-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):4075149
Pubchem (sid):35333997
 
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
Typical G.C.
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
 guava fruit headspace reunion @ 0.30%
Data GC Search Trop Picture
 
Synonyms:
3-methyloctan-4-one
4-octanone, 3-methyl-
 
 
Notes:
None found
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