picene

Description

picene · CAS 213-46-7 · C22H14. UNII F70R8ZBR7T. LogP: 7.11.

Identification

CAS Registry Number	213-46-7
PubChem CID	9162
Molecular formula	C22H14
IUPAC name	picene
UNII (FDA)	F70R8ZBR7T

Computed Descriptors

Molecular Weight	278.3
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	278.109550447
Monoisotopic Mass	278.109550447
Topological Polar Surface Area	0
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

LogP	7.11

Physical description & handling notes

• Fluorescent solid; [Merck Index] Tan crystalline solid; [AccuStandard MSDS]

Regulatory Status

GHS notification summary	18.8% (3 / 16)

GHS Hazard Classification

GHS notification summary	18.8% (3 / 16)
Reported hazard statements	H371 (81.2%)

Documented Uses

• Present in tar oils from soft coal; [Merck Index] Component of coal combustion emissions; [IARC]
• PAHs are released into the environment via the combustion of fossil fuels, coke oven emissions and vehicle exhausts, as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)
• PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

Synonyms

PICENE; 213-46-7; 3,4-Benzchrysene; Pycene; Benzo(a)chrysene; Benzo[a]chrysene; 1,2:7,8-Dibenzophenanthrene; Dibenzo(a,i)phenanthrene; 1,2,7,8-Dibenzphenanthrene; beta,beta-Binaphthyleneethene; DTXSID8073895; F70R8ZBR7T; NSC-406006; Dibenzo[a,i]phenanthrene; CHEBI:33090; RefChem:174136

Frequently Asked Questions

What are the CAS number and molecular formula of picene?

CAS 213-46-7; molecular formula C22H14; molecular weight — g/mol.

What other names is picene known by?

PICENE, 213-46-7, 3,4-Benzchrysene, Pycene, Benzo(a)chrysene, Benzo[a]chrysene.

Is picene classified as hazardous?

18.8% of GHS notifications report no hazard classification (3 of 16).

What are the key physical properties of picene?

LogP: 7.11.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.