3,4-Dihydrocyclopenta(cd)pyren-4-ol

Base Information

• Chemical Name: 3,4-Dihydrocyclopenta(cd)pyren-4-ol
• CAS No.: 80010-98-6
• Molecular Formula: C18H12 O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID701000903
• Nikkaji Number: J487.841H
• Mol file: 80010-98-6.mol

Synonyms:4-HDCPP;4-hydroxy-3,4-cyclopenta(c,d)pyrene;4-hydroxy-3,4-dihydrocyclopenta(cd)pyrene

Chemical Property of 3,4-Dihydrocyclopenta(cd)pyren-4-ol

Chemical Property:

• Vapor Pressure: 9.24E-11mmHg at 25°C
• Boiling Point: 498.6°C at 760 mmHg
• Flash Point: 179.6°C
• PSA: 20.23000
• Density: 1.434g/cm³
• LogP: 4.17350
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.088815002
• Heavy Atom Count: 19
• Complexity: 378

Purity/Quality:

99%min ^*data from raw suppliers

3,4-Dihydrocyclopenta[cd]pyren-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC3=CC=CC4=C3C5=C(C=CC1=C25)C=C4)O
• Uses: 3,4-Dihydrocyclopenta[cd]pyren-4-ol is a metabolite of a environmental pollutant and suspected human carcinogen cyclopenta[cd]pyrene (CPP).Also, it is an intermediate used in the synthesis of Acepyrene (A130950), which is a novel constituent discovered that belongs to the pyrene class of the polycyclic aromatic hydrocarbons. Acepyrene occurs in a large variety of carbon black soots, in cigarette smoke and is a major representative of PAH in car engine exhaust gases.