Product Name

  • Name

    9-hydroxybenzo(a)pyrene

  • EINECS
  • CAS No. 17573-21-6
  • Article Data9
  • CAS DataBase
  • Density 1.379g/cm3
  • Solubility
  • Melting Point 196°C
  • Formula C20H12 O
  • Boiling Point 527.2°C at 760 mmHg
  • Molecular Weight 268.315
  • Flash Point 252.9°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 17573-21-6 (9-hydroxybenzo(a)pyrene)
  • Hazard Symbols
  • Synonyms 9-Hydroxybenzo[a]pyrene
  • PSA 20.23000
  • LogP 5.44280

Benzo[A]Pyren-9-Ol Chemical Properties

Chemistry informtion about Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:
IUPAC Name: benzo[a]pyren-9-ol
Synonyms: 9-Hydroxybenzo(a)pyrene ; Benzo(a)pyren-9-ol
Molecular Weight: 268.30868 [g/mol]
Molecular Formula: C20H12O
XLogP3: 5.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Density: 1.379 g/cm3
Flash Point: 252.9 °C
Enthalpy of Vaporization: 83.19 kJ/mol
Boiling Point: 527.2 °C at 760 mmHg
Vapour Pressure: 9.85E-12 mmHg at 25°C
Following is the molecular structure of Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:

Benzo[A]Pyren-9-Ol Toxicity Data With Reference

1.    

mma-sat 7 µg/plate

     ENMUDM    Environmental Mutagenesis. 7 (1985),839.
2.    

dnd-hmn:fbr 30 µmol/L

     CBINA8    Chemico-Biological Interactions. 41 (1982),155.
3.    

dnd-mam:lym 447 nmol

     CRNGDP    Carcinogenesis. 3 (1982),267.

Benzo[A]Pyren-9-Ol Consensus Reports

EPA Genetic Toxicology Program.

Benzo[A]Pyren-9-Ol Safety Profile

Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests
GENETOX - Genetic toxicology information
TOXLINE - Citations to the toxicological literature

Benzo[A]Pyren-9-Ol Specification

Descriptors Computed from Structureabout Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)O)C=C2
InChI: InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
InChIKey: OBBBXCAFTKLFGZ-UHFFFAOYSA-N

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