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Substance Name: Methyl benzoin
RN: 3524-62-7
UNII: XIF870BGWW
InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-O2

Molecular Weight

  • 226.274
 
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Names and Synonyms

Name of Substance

  • Methyl benzoin

Synonyms

  • 2-Methoxy-1,2-diphenylethanone
  • 2-Methoxy-2-phenylacetophenone
  • 4-08-00-01280 (Beilstein Handbook Reference)
  • AI3-10591
  • alpha-Methoxybenzyl phenyl ketone
  • alpha-Methoxydeoxybenzoin
  • Benzoin methyl ester
  • Benzoin methyl ether
  • BRN 2052112
  • EINECS 222-538-7
  • Methyl benzoin
  • Nisso Cure MBO
  • NSC 76550
  • QCU 3
  • UNII-XIF870BGWW

Systematic Names

  • Acetophenone, 2-methoxy-2-phenyl-
  • Ethanone, 2-methoxy-1,2-diphenyl-
  • O-Methylbenzoin

Registry Numbers

CAS Registry Number

  • 3524-62-7

FDA UNII

  • XIF870BGWW

Other Registry Number

  • 5987-95-1

System Generated Number

  • 0003524627

Structure Descriptors

InChI

1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3

InChIKey

BQZJOQXSCSZQPS-UHFFFAOYSA-N

Smiles

C([C@@H](c1ccccc1)OC)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   Personal Communication from D. Teigler, Director of Biological Research, Lee Pharmaceuticals, 1444 Santa Anita Ave., South El Monte, CA 91733, June 16, 1975Vol. 16JUN1975,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 49.5 deg C   EXP
log P (octanol-water) 2.540 (none)   EST
Atmospheric OH Rate Constant 1.61E-11 cm3/molecule-sec 25 EST

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