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Substance Name: p-Methyl acetophenone
RN: 122-00-9
UNII: AX66V0KX3Y
InChIKey: GNKZMNRKLCTJAY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 
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Names and Synonyms

Name of Substance

  • 1-(4-Methylphenyl)ethanone
  • p-Methyl acetophenone

Synonyms

  • 1-(4-Methylphenyl)ethanone
  • 1-Acetyl-4-methylbenzene
  • 1-Methyl-4-acetylbenzene
  • 1-p-Tolylethanone
  • 4'-Methylacetophenone
  • 4-Methylphenyl methyl ketone
  • Acetophenone, 4'-methyl-
  • AI3-00734
  • EC 204-514-8
  • EINECS 204-514-8
  • Ethanone, 1-(4-methylphenyl)-
  • FEMA No. 2677
  • Melilotal
  • Methyl p-tolyl ketone
  • NSC 9401
  • p-Acetotoluene
  • p-Acetyltoluene
  • p-Methylacetophenone
  • Tolyl methyl ketone, p-
  • UNII-AX66V0KX3Y

Systematic Names

  • 4'-Methylacetophenone
  • Acetophenone, 4'-methyl-
  • Ethanone, 1-(4-methylphenyl)-

Superlist Name

  • 4'-Methylacetophenone

Registry Numbers

CAS Registry Number

  • 122-00-9

FDA UNII

  • AX66V0KX3Y

System Generated Number

  • 0000122009

Structure Descriptors

InChI

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

InChIKey

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1400mg/kg (1400mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 933, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28 deg C   EXP
Boiling Point 226 deg C   EXP
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 372 mg/L 15 EXP
Vapor Pressure 0.221 mm Hg 25 EST
Henry's Law Constant 1.08E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.88E-12 cm3/molecule-sec 25 EST

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