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Substance Name: 4-Isopropylacetophenone
RN: 645-13-6
UNII: 742ZKZ2A6D
InChIKey: PDLCCNYKIIUWHA-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O

Molecular Weight

  • 162.231
 
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Names and Synonyms

Name of Substance

  • 4-Isopropylacetophenone

Synonyms

  • 1-(4-(1-Methylethyl)phenyl)ethanone
  • 4'-Isopropylacetophenone
  • 4-Isopropylacetophenone
  • Acetophenone, 4'-isopropyl-
  • Acetylcumene, p-
  • AI3-15527
  • Cuminone
  • EINECS 211-433-1
  • Ethanone, 1-(4-(1-methylethyl)phenyl)-
  • FEMA No. 2927
  • Isopropylacetylbenzene, p-
  • Methyl p-isopropylphenyl ketone
  • NSC 9165
  • p-Isopropylacetophenone
  • UNII-742ZKZ2A6D

Systematic Names

  • 1-(4-(1-Methylethyl)phenyl)ethan-1-one
  • Acetophenone, 4'-isopropyl- (8CI)
  • Ethanone, 1-(4-(1-methylethyl)phenyl)-

Superlist Name

  • 4-Isopropylacetophenone

Registry Numbers

CAS Registry Number

  • 645-13-6

FDA UNII

  • 742ZKZ2A6D

System Generated Number

  • 0000645136

Structure Descriptors

InChI

1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3

InChIKey

PDLCCNYKIIUWHA-UHFFFAOYSA-N

Smiles

c1(C(C)C)ccc(C(C)=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 254 deg C   EXP
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 191 mg/L 25 EST
Vapor Pressure 0.057 mm Hg 25 EST
Henry's Law Constant 1.91E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.59E-12 cm3/molecule-sec 25 EST

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