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Substance Name: Methyl trans-styryl ketone
RN: 1896-62-4
UNII: B03X40BMT5
InChIKey: BWHOZHOGCMHOBV-BQYQJAHWSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C10-H10-O

Molecular Weight

  • 146.188
 
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Names and Synonyms

Name of Substance

  • Methyl trans-styryl ketone

Synonyms

  • 4-07-00-01003 (Beilstein Handbook Reference)
  • AI3-52291
  • BRN 0742047
  • EINECS 217-587-6
  • Methyl trans-styryl ketone
  • TPBO
  • trans-4-Phenyl-3-butene-2-one
  • trans-Benzalacetone
  • trans-Benzylidenacetone
  • trans-Benzylideneacetone
  • UNII-B03X40BMT5

Systematic Names

  • 3-Buten-2-one, 4-phenyl-, (E)-
  • trans-4-Phenylbut-3-en-2-one

Registry Numbers

CAS Registry Number

  • 1896-62-4

FDA UNII

  • B03X40BMT5

System Generated Number

  • 0001896624

Structure Descriptors

InChI

1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChIKey

BWHOZHOGCMHOBV-BQYQJAHWSA-N

Smiles

CC(=O)\C=C\c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42 deg C   EXP
Boiling Point 262 deg C   EXP
log P (octanol-water) 2.040 (none)   EST
Atmospheric OH Rate Constant 5.27E-11 cm3/molecule-sec 25 EST

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