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Substance Name: 2,4-Dimethyl-3-pentanone
RN: 565-80-0
UNII: 7AAP3A50IG
InChIKey: HXVNBWAKAOHACI-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Name of Substance

  • 2,4-Dimethyl-3-pentanone

Synonyms

  • 2,4-Dimethyl-3-pentanone
  • Diisopropyl ketone
  • EINECS 209-294-7
  • Isobutyrone
  • Isopropyl ketone
  • NSC 14662
  • PM 2763
  • UNII-7AAP3A50IG

Systematic Names

  • 2,4-Dimethylpentan-3-one
  • 3-Pentanone, 2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 565-80-0

FDA UNII

  • 7AAP3A50IG

System Generated Number

  • 0000565800

Structure Descriptors

InChI

1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3

InChIKey

HXVNBWAKAOHACI-UHFFFAOYSA-N

Smiles

C(C(C)C)(C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 2765ppm/6H (2765ppm)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062,
rat LD50 oral 3536mg/kg (3536mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062,
rat LD50 skin > 16120mg/kg (16120mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-1062,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.90E+01 deg C   EXP
Boiling Point 125.4 deg C   EXP
log P (octanol-water) 1.86 (none)   EXP
Water Solubility 5700 mg/L 25 EXP
Vapor Pressure 13.4 mm Hg 25 EXP
Henry's Law Constant 3.53E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.38E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.