PYRENE

Description

PYRENE · CAS 129-00-0 · C16H10. UNII 9E0T7WFW93. Boiling Point: 759 °F at 760 mmHg (EPA, 1998); Boiling Point: 394 °C; Boiling Point: 404.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	129-00-0
PubChem CID	31423
Molecular formula	C16H10
IUPAC name	pyrene
UNII (FDA)	9E0T7WFW93

Computed Descriptors

Molecular Weight	202.25
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	202.078250319
Monoisotopic Mass	202.078250319
Topological Polar Surface Area	0
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	759 °F at 760 mmHg (EPA, 1998)
Boiling Point	394 °C
Boiling Point	404.00 °C. @ 760.00 mm Hg
Boiling Point	404 °C
Boiling Point	759 °F
Boiling Point	404 °C @760 [mm Hg]
Melting Point	313 °F (EPA, 1998)
Melting Point	150.62 °C
Melting Point	151.2 °C
Melting Point	151 °C

Physical description & handling notes

• Pyrene is a colorless solid, solid and solutions have a slight blue fluorescence. Used in biochemical research. (EPA, 1998)
• Other Solid; Dry Powder
• Colorless solid, but may be yellow from impurities; [Hawley] Solid and solutions have slight blue fluorescence; [Merck Index] Yellow crystalline solid; [MSDSonline]
• Solid
• PALE YELLOW OR COLOURLESS SOLID IN VARIOUS FORMS.
• Colorless solid, solid and solutions have a slight blue fluorescence.

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	13.4% (22 / 164)

GHS Hazard Classification

GHS notification summary	13.4% (22 / 164)
Reported hazard statements	H315 (63.4%), H319 (63.4%), H335 (63.4%), H400 (78.7%), H410 (84.1%)

Documented Uses

• Used in research; [Hawley] As a starting material in the production of optical brighteners and dyes; [HSDB] It is a by-product of the pyrolysis of organic matter and is present in coal tar distillates, diesel exhaust, automobile exhaust, tobacco smoke, barbecue smoke, wood smoke, lake sediments, waste oils, and sewage. [CHEMINFO]
• Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride.
• By analogy to fluoranthene, pyrene and alkylpyrenes can be used as additives in electro-insulating oils as well as in epoxy resins for electrical insulation.
• Pyrene from coal-tar has been used as a starting material for the synthesis of benzo(a)pyrene.
• Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads.
• Synthetic Polymer MALDI Matrix Compounds

Synonyms

PYRENE; 129-00-0; Benzo[def]phenanthrene; Pyren; beta-Pyrene; Benzo(def)phenanthrene; DTXSID3024289; NSC 17534; 9E0T7WFW93; CHEBI:39106; AI3-23977; NSC-17534; NSC-66449; DTXCID804289; NSC17534; RefChem:6184

Frequently Asked Questions

What are the CAS number and molecular formula of PYRENE?

CAS 129-00-0; molecular formula C16H10; molecular weight — g/mol.

What other names is PYRENE known by?

PYRENE, 129-00-0, Benzo[def]phenanthrene, Pyren, beta-Pyrene, Benzo(def)phenanthrene.

What is the regulatory status of PYRENE?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is PYRENE classified as hazardous?

13.4% of GHS notifications report no hazard classification (22 of 164).

What are the key physical properties of PYRENE?

Boiling Point: 759 °F at 760 mmHg (EPA, 1998); Boiling Point: 394 °C; Boiling Point: 404.00 °C. @ 760.00 mm Hg; Boiling Point: 404 °C.

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.