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Substance Name: 3-Methylcholanthrene
RN: 56-49-5
UNII: 214U33M1RL
InChIKey: PPQNQXQZIWHJRB-UHFFFAOYSA-N

Note

  • A carcinogen that is often used in experimental cancer studies.

Molecular Formula

  • C21-H16

Molecular Weight

  • 268.3574
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)
  • Tumor Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 10 lb

Names and Synonyms

Name of Substance

  • 3-Methylcholanthrene
  • Methylcholanthrene

MeSH Heading

  • Methylcholanthrene

Synonyms

  • 1,2-Dihydro-3-methylbenz(j)aceanthrylene
  • 20-MC
  • 20-Methylcholanthrene
  • 3-MC
  • 3-MCA
  • 3-MCH
  • 3-MeCA
  • 3-Methoxycholanthrene
  • 3-Methyl-I,J-cyclopentabenz(a)anthracene
  • 3-Methylbenz(j)aceanthrene
  • 3-Methylchloanthrene
  • 3-Methylcholanthren
  • 3-Methylcholanthren [German]
  • 3-Methylcholanthrene
  • 3-Methylcyclopentabenzophenanthrene
  • 4-05-00-02648 (Beilstein Handbook Reference)
  • AI3-50462
  • Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-
  • BRN 1913890
  • CCRIS 386
  • EINECS 200-276-4
  • HSDB 2942
  • MC
  • MCA
  • Methylcholanthrene
  • NSC 21970
  • RCRA waste number U157
  • UNII-214U33M1RL

Systematic Names

  • 3-Methylcholanthrene
  • Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-
  • Cholanthrene, 3-methyl-

Superlist Names

  • 3-Methylcholanthrene
  • Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-
  • RCRA waste no. U157

Registry Numbers

CAS Registry Number

  • 56-49-5

FDA UNII

  • 214U33M1RL

Other Registry Number

  • 345299-31-2

System Generated Number

  • 0000056495

Structure Descriptors

InChI

1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

InChIKey

PPQNQXQZIWHJRB-UHFFFAOYSA-N

Smiles

Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25

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.
mouse LD intrapleural > 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Bulletin de l'Association Francaise pour l'Etude du Cancer. Vol. 27, Pg. 706, 1938.
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 180 deg C   EXP
log P (octanol-water) 6.42 (none)   EXP
Water Solubility 0.0029 mg/L 25 EXP
Henry's Law Constant 2.44E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

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