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Substance Name: 7,12-Dimethylbenz(a)anthracene
RN: 57-97-6
UNII: F05B6S0395
InChIKey: ARSRBNBHOADGJU-UHFFFAOYSA-N

Note

  • 7,12-Dimethylbenzanthracene. Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.

Molecular Formula

  • C20-H16

Molecular Weight

  • 256.346
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 1 lb

Names and Synonyms

Name of Substance

  • 7,12-Dimethylbenz(a)anthracene
  • 9,10-Dimethyl-1,2-benzanthracene

MeSH Heading

  • 9,10-Dimethyl-1,2-benzanthracene

Synonyms

  • 1,4-Dimethyl-2,3-benzphenanthrene
  • 4-05-00-02587 (Beilstein Handbook Reference)
  • 6,7-Dimethyl-1,2-benzanthracene
  • 7,12-Dimethyl-1,2-benzanthracene
  • 7,12-Dimethyl-1:2-benz(a)anthracene
  • 7,12-Dimethylbenz(a)anthracene
  • 7,12-Dimethylbenzanthracene
  • 7,12-Dimethylbenzanthrancene
  • 7,12-Dimethylbenzo(a)anthracene
  • 7,12-DMBA
  • 9,10-Dimethyl-1,2-benzanthracene
  • 9,10-Dimethyl-1,2-benzanthrazen
  • 9,10-Dimethyl-1,2-benzanthrazen [German]
  • 9,10-Dimethylbenz(a)anthracene
  • AI3-50460
  • Benz(a)anthracene, 7,12-dimethyl-
  • Benz(a)anthracene, 9,10-dimethyl-
  • BRN 1912135
  • CCRIS 274
  • DMBA
  • EINECS 200-359-5
  • HSDB 2938
  • NCI-C03918
  • NSC 408823
  • RCRA waste number U094
  • UNII-F05B6S0395

Systematic Names

  • 7,12-Dimethylbenz(a)anthracene
  • Benz(a)anthracene, 7,12-dimethyl-

Superlist Names

  • 7,12-Dimethylbenz(a)anthracene
  • 7,12-Dimethylbenz(a)anthracene [Polycyclic aromatic compounds]
  • Benz(a)anthracene, 7,12-dimethyl-
  • RCRA waste no. U094

Registry Numbers

CAS Registry Number

  • 57-97-6

FDA UNII

  • F05B6S0395

Other Registry Number

  • 56-56-4

System Generated Number

  • 0000057976

Structure Descriptors

InChI

1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

InChIKey

ARSRBNBHOADGJU-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3c2C)C)ccc2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 20mg/kg (20mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 252, Pg. 1236, 1961.
mouse LD50 intraperitoneal 54mg/kg (54mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 24, Pg. 177, 1981.
mouse LD50 intratracheal 22500ug/kg (22.5mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 24, Pg. 177, 1981.
mouse LD50 intravenous 340mg/kg (340mg/kg)   Science. Vol. 147, Pg. 1153, 1965.
mouse LD50 oral 340mg/kg (340mg/kg)   Science. Vol. 147, Pg. 1153, 1965.
rat LD50 intravenous 54mg/kg (54mg/kg)   Science. Vol. 147, Pg. 1153, 1965.
rat LD50 oral 327mg/kg (327mg/kg)   Gann. Japanese Journal of Cancer Research. Vol. 68, Pg. 237, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 122.5 deg C   EXP
log P (octanol-water) 5.8 (none)   EXP
Water Solubility 0.061 mg/L 25 EXP
Vapor Pressure 2.00E-07 mm Hg 25 EST
Henry's Law Constant 2.03E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 25 EST

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