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Substance Name: Chrysene
RN: 218-01-9
UNII: 084HCM49PT
InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N

Molecular Formula

  • C18-H12

Molecular Weight

  • 228.2928
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 137
  • 2011 CERCLA Priority List, Rank: 142
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 100 lb
  • TWA (0.2 ppm);
  • TWA: exposure by all routes should be carefully controlled to levels as low as possible;Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Name of Substance

  • Chrysene

Synonyms

  • 1,2,5,6-Dibenzonaphthalene
  • 1,2-Benzophenanthrene
  • 1,2-Benzphenanthrene
  • AI3-00867
  • Benz(a)phenanthrene
  • Benzo(a)phenanthrene
  • CCRIS 161
  • Chrysene
  • EINECS 205-923-4
  • HSDB 2810
  • NSC 6175
  • RCRA waste number U050
  • UNII-084HCM49PT

Systematic Name

  • Chrysene

Superlist Names

  • 1,2-Benzphenanthrene
  • Benzo(a)phenanthrene [Polycyclic aromatic compounds]
  • Chrysene
  • Coal tar pitch volatiles: chrysene
  • RCRA waste no. U050

Registry Numbers

CAS Registry Number

  • 218-01-9

FDA UNII

  • 084HCM49PT

Other Registry Number

  • 27274-05-1

System Generated Number

  • 0000218019

Structure Descriptors

InChI

1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

InChIKey

WDECIBYCCFPHNR-UHFFFAOYSA-N

Smiles

c12c(c3c(cccc3)cc2)ccc2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 320mg/kg (320mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 258.2 deg C   EXP
Boiling Point 448 deg C   EXP
log P (octanol-water) 5.81 (none)   EXP
Water Solubility 0.002 mg/L 25 EXP
Vapor Pressure 6.23E-09 mm Hg 25 EXP
Henry's Law Constant 5.23E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.00E-11 cm3/molecule-sec 25 EST

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