Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 12-Methylbenz(a)anthracene
RN: 2422-79-9
UNII: 8F95087GC8
InChIKey: ACYOLKMEHHTLAB-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C19-H14

Molecular Weight

  • 242.32
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 12-Methylbenz(a)anthracene
  • 12-Methylbenzanthracene

Synonyms

  • 12-Methylbenz(a)anthracene
  • 12-Methylbenz(a)anthrancene
  • 4-05-00-02569 (Beilstein Handbook Reference)
  • 9-Methyl-1,2-benzanthracene
  • Benz(a)anthracene, 12-methyl-
  • BRN 1872267
  • CCRIS 1533
  • HSDB 4055
  • NSC 409460
  • UNII-8F95087GC8

Systematic Names

  • 12-Methylbenz(a)anthracene
  • Benz(a)anthracene, 12-methyl-

Registry Numbers

CAS Registry Number

  • 2422-79-9

FDA UNII

  • 8F95087GC8

System Generated Number

  • 0002422799

Structure Descriptors

InChI

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

InChIKey

ACYOLKMEHHTLAB-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cc1ccccc1c2C)cccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138 deg C   EXP
log P (octanol-water) 6.070 (none)   EST
Water Solubility 0.066 mg/L 27 EXP
Vapor Pressure 3.30E-07 mm Hg 25 EST
Henry's Law Constant 1.90E-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.