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Substance Name: p-Methoxybenzylideneacetone
RN: 943-88-4
UNII: 79U9LYF10I
InChIKey: WRRZKDVBPZBNJN-ONEGZZNKSA-N

Molecular Formula

  • C11-H12-O2

Molecular Weight

  • 176.214
 
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Names and Synonyms

Name of Substance

  • p-Methoxybenzylideneacetone

Synonyms

  • 1-(p-Methoxyphenyl)-1-buten-3-one
  • 2-08-00-00155 (Beilstein Handbook Reference)
  • 4'-Methoxybenzylideneacetone
  • 4-(p-Methoxyphenyl)-3-buten-2-one
  • 4-(p-Methoxyphenyl)-3-butene-2-one
  • 4-Methoxybenzalacetone
  • 4-Methoxybenzylideneacetone
  • 4-Methoxystyryl methyl ketone
  • AI3-00222
  • Anisalacetone
  • Anisylidene acetone
  • BRN 1525535
  • EINECS 213-404-9
  • Methyl p-methoxystyryl ketone
  • Methyl-p-methoxycinnamylketone
  • NSC 31752
  • NSC 7946
  • p-Anisalacetone
  • p-Anisilidenacetone
  • p-Methoxybenzalacetone
  • p-Methoxybenzylideneacetone
  • p-Methoxystyryl methyl ketone
  • UNII-79U9LYF10I

Systematic Names

  • 3-Buten-2-one, 4-(4-methoxyphenyl)-
  • 3-Buten-2-one, 4-(p-methoxyphenyl)- (8CI)
  • 4-(4-Methoxyphenyl)-3-buten-2-one

Registry Numbers

CAS Registry Number

  • 943-88-4

FDA UNII

  • 79U9LYF10I

System Generated Number

  • 0000943884

Structure Descriptors

InChI

1S/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3/b4-3+

InChIKey

WRRZKDVBPZBNJN-ONEGZZNKSA-N

Smiles

C(=C\c1ccc(cc1)OC)\C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 456, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 456, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.25 (none)   EXP
Atmospheric OH Rate Constant 7.19E-11 cm3/molecule-sec 25 EST

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