Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: p-Benzylphenol
RN: 101-53-1
UNII: CS02509J25
InChIKey: HJSPWKGEPDZNLK-UHFFFAOYSA-N

Note

  • Metabolite of diphenylmethane.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O

Molecular Weight

  • 184.237
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Benzylphenol
  • p-Benzylphenol

Synonyms

  • 4-(Phenylmethyl)phenol
  • 4-06-00-04640 (Beilstein Handbook Reference)
  • 4-Benzylphenol
  • 4-Hydroxydiphenylmethane
  • 4-Hydroxyditane
  • AI3-01932
  • AI3-1932
  • alpha-Phenyl-p-cresol
  • BRN 1449572
  • EINECS 202-950-3
  • Fesiasept
  • NSC 8078
  • p-Benzylphenol
  • p-Hydroxydiphenyl methane
  • p-Hydroxydiphenylmethane
  • Parabencilfenilcarbamato
  • Parabencilfenilcarbamato [Spanish]
  • UNII-CS02509J25

Systematic Names

  • 4-Benzylphenol
  • p-Cresol, alpha-phenyl- (8CI)
  • Phenol, 4-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 101-53-1

FDA UNII

  • CS02509J25

Other Registry Number

  • 1211394-82-9

Related Registry Number

  • 7563-63-5 (hydrochloride salt)

System Generated Number

  • 0000101531

Structure Descriptors

InChI

1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2

InChIKey

HJSPWKGEPDZNLK-UHFFFAOYSA-N

Smiles

c1(Cc2ccccc2)ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 20gm/kg (20000mg/kg)   Antibiotics and Chemotherapy Vol. 4, Pg. 917, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84 deg C   EXP
Boiling Point 322 deg C   EXP
log P (octanol-water) 3.47 (none)   EXP
Water Solubility 73.2 mg/L 25 EXP
Vapor Pressure 6.85E-05 mm Hg 25 EST
Henry's Law Constant 4.99E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.65E-11 cm3/molecule-sec 25 EST

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