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Substance Name: 3-Buten-2-one, 3-methyl-4-phenyl-
RN: 1901-26-4
InChIKey: BQJFBHBDOAIIGS-CMDGGOBGSA-N

Molecular Formula

  • C11-H12-O

Molecular Weight

  • 160.215
 
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Names and Synonyms

Synonyms

  • 1-Methyl-1-benzylidene-acetone
  • 2-07-00-00298 (Beilstein Handbook Reference)
  • 3-Benzylidene-2-butenone
  • 3-Buten-2-one, 3-methyl-4-phenyl-
  • 3-Methyl-4-phenyl-3-buten-2-one
  • 4-Phenyl-3-methyl-3-buten-2-one
  • alpha-Methyl-alpha-benzalacetone
  • Benzylidene methyl ethyl ketone
  • BRN 0774487
  • EINECS 217-599-1
  • FEMA No. 2734
  • Methyl alpha-methylstyryl ketone
  • Methylbenzylideneacetone
  • NSC 46888

Systematic Names

  • 3-Buten-2-one, 3-methyl-4-phenyl-
  • 3-Methyl-4-phenyl-3-buten-2-one

Superlist Name

  • 3-Methyl-4-phenyl-3-buten-2-one

Registry Numbers

CAS Registry Number

  • 1901-26-4

System Generated Number

  • 0001901264

Structure Descriptors

InChI

1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+

InChIKey

BQJFBHBDOAIIGS-CMDGGOBGSA-N

Smiles

c1(\C=C(\C(C)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4100mg/kg (4100mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 96, 1990.