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2,4-dimethyl-3-pentanone

Chemical Structure

General Material Information

Preferred name 2,4-dimethyl-3-pentanone
Trivial Name Diisopropyl ketone
Short Description 3-pentanone, 2,4-dimethyl-
Formula C7 H14 O
CAS Number 565-80-0
ECHA Number 209-294-7
FDA UNII 7AAP3A50IG
Nikkaji Number J6.514E
Beilstein Number 773782
MDL MFCD00008918
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • iso butyrone
  • diisopropyl ketone
  • diisopropylketone
  • 2,4-dimethyl pentan-3-one
  • 2,4-dimethylpentan-3-one
  • ketone, di-isopropyl
  • 3-pentanone, 2,4-dimethyl-
  • iso propyl ketone
  • 3-Pentanone, 2,4-dimethyl-
  • Isobutyrone
  • Isopropyl ketone
  • NSC 14662

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

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Literature & References

2,4-dimethylpentan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:565-80-0
Pubchem (cid):11271
Pubchem (sid):134978643
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31429
FooDB:FDB003508
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 114.1877822876
Specific gravity @ 20 °C
Pounds per Gallon 6.69 to 6.715
Refractive Index 1.399 to 1.401 @ 20 °C
Vapor Pressure 13.4 mmHg @ 25 °C
Flash Point TCC Value 15.56 °C TCC
logP (o/w) 1.86
Solubility
alcohol Yes
water, 5700 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Flavor Type: Acetone
acetone

Occurrences

Safety Information

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:
oral-rat LD50 3536 mg/kg
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062

Dermal Toxicity:
skin-rat LD50 > 16120 mg/kg
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062

Inhalation Toxicity:
inhalation-rat LC50 > 2765 ppm/6H
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062

Safety in use information

Category:
natural substances and extractives
Recommendation for 2,4-dimethyl-3-pentanone usage levels up to:
not for fragrance use.
Recommendation for 2,4-dimethyl-3-pentanone flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):565-80-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11271
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2,4-dimethylpentan-3-one
Chemidplus:0000565800
RTECS:SA8575500 for cas# 565-80-0