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isomesityl oxide

Chemical Structure

General Material Information

Preferred name isomesityl oxide
Trivial Name 4-Methyl-4-penten-2-one
Short Description 4-penten-2-one, 4-methyl-
Formula C6 H10 O
CAS Number 3744-02-3
FDA UNII P549RW6459
Nikkaji Number J121.791G
xLogP3-AA 1.30 (est)
NMR Predictor External link
FDA Mainterm 3744-02-3 ; 4-METHYL-4-PENTEN-2-ONE
Synonyms
  • 4-methyl-4-penten-2-one
  • 4-methylpent-4-en-2-one
  • 4-penten-2-one, 4-methyl-
  • iso propenyl acetone
  • 4-methylpent-4-en-2-one
  • 4-Penten-2-one, 4-methyl-
  • 4-Methyl-4-penten-2-one
  • Isopropenyl acetone
  • 2-Methyl-1-penten-4-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
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

Suppliers

BOC Sciences

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 98.144897460938
Boiling Point 124 to 125°C @ 760 mm Hg
Boiling Point 120 to 121°C @ 760 mm Hg
Vapor Pressure 15.1 mmHg @ 25 °C
Flash Point TCC Value 24.7 °C TCC
logP (o/w) 1.16
Solubility
alcohol Yes
water, 12100 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Vegetable
pungent, vegetable, acrylate
General comment At 0.10 % in propylene glycol. pungent vegetable acrylic

Occurrences

Safety Information

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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