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Substance Name: 5-Methylchrysene
RN: 3697-24-3
UNII: O66195MC8L
InChIKey: GOHBXWHNJHENRX-UHFFFAOYSA-N

Note

  • Methylchrysenes in tobacco smoke are suspected to contribute to tumorigenicity of this inhalant.

Molecular Formula

  • C19-H14

Molecular Weight

  • 242.32
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • 5-Methylchrysene

Synonyms

  • 4-05-00-02573 (Beilstein Handbook Reference)
  • 5-Methylchrysene
  • BRN 2048519
  • CCRIS 387
  • HSDB 6979
  • NSC 407620
  • UNII-O66195MC8L

Systematic Names

  • 5-Methylchrysene
  • Chrysene, 5-methyl-

Superlist Names

  • 5-Methyl Chrysene
  • 5-Methylchrysene
  • 5-Methylchrysene [Polycyclic aromatic compounds]
  • 5-Methylchrysene [Polycyclic aromatic hydrocarbons]
  • Chrysene, 5-methyl-

Registry Numbers

CAS Registry Number

  • 3697-24-3

FDA UNII

  • O66195MC8L

System Generated Number

  • 0003697243

Structure Descriptors

InChI

1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3

InChIKey

GOHBXWHNJHENRX-UHFFFAOYSA-N

Smiles

c12c(c3c(cccc3)cc2)c(cc2c1cccc2)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
log P (octanol-water) 6.070 (none)   EST
Water Solubility 0.062 mg/L 27 EXP
Vapor Pressure 2.53E-07 mm Hg 25 EST
Henry's Law Constant 5.53E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EST

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