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Substance Name: Isopropenyl acetone
RN: 3744-02-3
UNII: P549RW6459
InChIKey: VADUDTKCGJKNDY-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • Isopropenyl acetone

Synonyms

  • 4-Methyl-4-penten-2-one
  • 4-Penten-2-one, 4-methyl-
  • AI3-24338
  • Isomesityl oxide
  • UNII-P549RW6459

Systematic Name

  • 4-Penten-2-one, 4-methyl-

Superlist Name

  • Isopropenyl acetone

Registry Numbers

CAS Registry Number

  • 3744-02-3

FDA UNII

  • P549RW6459

System Generated Number

  • 0003744023

Structure Descriptors

InChI

1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3

InChIKey

VADUDTKCGJKNDY-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.26E+01 deg C   EXP
Boiling Point 124.2 deg C   EXP
log P (octanol-water) 1.160 (none)   EST
Water Solubility 1.21E+04 mg/L 25 EST
Vapor Pressure 15.1 mm Hg 25 EXP
Henry's Law Constant 1.02E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.23E-11 cm3/molecule-sec 25 EST

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