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Substance Name: 3-Methylacetophenone
RN: 585-74-0
UNII: V3KL17Y68N
InChIKey: FSPSELPMWGWDRY-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 
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Names and Synonyms

Name of Substance

  • 3-Methylacetophenone

Synonyms

  • 3'-Methylacetophenone
  • Acetophenone, m-methyl-
  • EINECS 209-561-8
  • m-Methylacetophenone
  • NSC 46632
  • UNII-V3KL17Y68N

Systematic Names

  • 3-Methylacetophenone
  • Acetophenone, 3'-methyl- (8CI)
  • Ethanone, 1-(3-methylphenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 585-74-0

FDA UNII

  • V3KL17Y68N

System Generated Number

  • 0000585740

Structure Descriptors

InChI

1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3

InChIKey

FSPSELPMWGWDRY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 220 deg C   EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 1290 mg/L 25 EST
Vapor Pressure 0.221 mm Hg 25 EST
Henry's Law Constant 1.08E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-12 cm3/molecule-sec 25 EST

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