Substance Name: Benzo(a)pyrene
RN: 50-32-8
InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N

Note

  • A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.

Molecular Formula

  • C20-H12

Molecular Weight

  • 252.3148
2D chemical structure of 50-32-8
 

Classification Codes

Classification Codes

  • Mutation data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 9
  • 2011 CERCLA Priority List, Rank: 8
  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably anticipated to be a carcinogen
  • Reportable Quantity (RQ) = 1 lb
  • TWA (0.2 ppm);
  • TWA: exposure by all routes should be carefully controlled to levels as low as possible, Suspected human carcinogen

Names and Synonyms

Name of Substance

  • Benzo(a)pyrene

MeSH Heading

  • Benzo(a)pyrene

Synonyms

  • 1,2-Benzpyrene
  • 3,4-Benz(a)pyrene
  • 3,4-Benzo(a)pyrene
  • 3,4-Benzopirene
  • 3,4-Benzopirene [Italian]
  • 3,4-Benzopyrene
  • 3,4-Benzpyren
  • 3,4-Benzpyren [German]
  • 3,4-Benzpyrene
  • 3,4-BP
  • 4,5-Benzpyrene
  • 6,7-Benzopyrene
  • AI3-50461
  • B(a)P
  • BaP
  • Benz(a)pyrene
  • Benzo(a)pyrene
  • Benzo(d,e,f)chrysene
  • BP
  • CCRIS 76
  • EINECS 200-028-5
  • HSDB 2554
  • NSC 21914
  • RCRA waste number U022
  • UNII-3417WMA06D

Systematic Names

  • Benzo(a)pyrene
  • Benzo(def)chrysene

Superlist Names

  • 3,4-Benzopyrene
  • Benzo(a)pyrene
  • Benzo(a)pyrene [Polycyclic aromatic compounds]
  • Benzo(a)pyrene [Polycyclic aromatic hydrocarbons]
  • Coal tar pitch volatiles: benzo(a)pyrene
  • RCRA waste no. U022

Registry Numbers

CAS Registry Number

  • 50-32-8

Other Registry Number

  • 819804-28-9

System Generated Number

  • 0000050328

Structure Descriptors

InChI

1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

InChIKey

FMMWHPNWAFZXNH-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)cc2ccc3ccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo intrarenal 9mg/kg (9mg/kg)   Cancer Research. Vol. 24, Pg. 1969, 1964.
Link to PubMed
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972.
Link to PubMed
rat LD50 subcutaneous 50mg/kg (50mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
Link to PubMed

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 176.5 deg C   EXP
log P (octanol-water) 6.13 (none)   EXP
Water Solubility 0.00162 mg/L 25 EXP
Henry's Law Constant 4.57E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.