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Substance Name: 1,1'-Methylenebisbenzene
RN: 101-81-5
UNII: K3E387I0BC
InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N

Molecular Formula

  • C13-H12

Molecular Weight

  • 168.238
 
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Names and Synonyms

Name of Substance

  • 1,1'-Methylenebisbenzene
  • Benzene, 1,1'-methylenebis-
  • Benzyl benzene
  • Diphenyl methane
  • Diphenylmethane

Synonyms

  • 1,1'-Dimethylenebis(benzene)
  • 1,1'-Methylenebisbenzene
  • AI3-00748
  • AI3-28021-X
  • Benzene, (phenylmethyl)-
  • Benzene, 1,1'-methylenebis-
  • Benzene, benzyl-
  • Benzylbenzene
  • Diphenylmethane
  • Ditan
  • Ditane
  • EINECS 202-978-6
  • HSDB 5141
  • Methane, diphenyl-
  • NSC 4708
  • Toluene, alpha-phenyl-
  • UNII-K3E387I0BC

Systematic Names

  • Benzene, 1,1'-methylenebis-
  • Diphenylmethane
  • Methane, diphenyl- (8CI)

Registry Numbers

CAS Registry Number

  • 101-81-5

FDA UNII

  • K3E387I0BC

System Generated Number

  • 0000101815

Structure Descriptors

InChI

1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

CZZYITDELCSZES-UHFFFAOYSA-N

Smiles

c1(Cc2ccccc2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 705, 1974.
rat LD50 oral 2250mg/kg (2250mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 705, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25.2 deg C   EXP
Boiling Point 265 deg C   EXP
log P (octanol-water) 4.14 (none)   EXP
Water Solubility 14.1 mg/L 25 EXP
Vapor Pressure 0.00821 mm Hg 25 EXP
Henry's Law Constant 1.29E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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