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isomesityl oxide
4-penten-2-one, 4-methyl-

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Name:4-methylpent-4-en-2-one
CAS Number: 3744-02-3Picture of molecule3D/inchi
FDA UNII:P549RW6459
Nikkaji Web:J121.791G
XlogP3-AA:1.30 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (SATF):3744-02-3 ; 4-METHYL-4-PENTEN-2-ONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -72.60 °C. @ 760.00 mm Hg
Boiling Point: 124.00 to 125.00 °C. @ 760.00 mm Hg
Boiling Point: 120.00 to 121.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:15.100000 mmHg @ 25.00 °C.
Flash Point: 76.00 °F. TCC ( 24.70 °C. ) (est)
logP (o/w): 1.160
Soluble in:
 alcohol
 water, 12100 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: vegetable
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
pungent vegetable acrylate
Odor Description:at 0.10 % in propylene glycol. pungent vegetable acrylic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Penten-2-one, 4-methyl- 95%
 
Safety Information:
 
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:
flavoring agents
Recommendation for isomesityl oxide usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19543
National Institute of Allergy and Infectious Diseases:Data
4-methylpent-4-en-2-one
Chemidplus:0003744023
 
References:
 4-methylpent-4-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3744-02-3
Pubchem (cid):19543
Pubchem (sid):134986116
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31564
FooDB:FDB008179
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
vegetable
mesityl oxide
FL/FR
For Flavor
green
4-
penten-1-yl acetate
FL
potato
mesityl oxide
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 tea
Search Trop Picture
 
Synonyms:
4-methyl-4-penten-2-one
4-methylpent-4-en-2-one
4-penten-2-one, 4-methyl-
isopropenyl acetone
 
 
Notes:
Listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported uses (DFC)
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