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Substance Name: Pyrene
RN: 129-00-0
UNII: 9E0T7WFW93
InChIKey: BBEAQIROQSPTKN-UHFFFAOYSA-N

Molecular Formula

  • C16-H10

Molecular Weight

  • 202.255
 

Classification Codes

Classification Codes

  • Coloring Agents
  • Fluorescent Dyes
  • Indicators and Reagents
  • Luminescent Agents
  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 253
  • 2011 CERCLA Priority List, Rank: 253
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • Threshold Planning Quantity (TPQ) = 1000/10000 lb
  • TWA (0.2 ppm);
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Names and Synonyms

Name of Substance

  • Pyrene

Synonyms

  • AI3-23977
  • Benzo(def)phenanthrene
  • beta-Pyrene
  • CCRIS 1256
  • EC 204-927-3
  • EINECS 204-927-3
  • HSDB 4023
  • NSC 17534
  • Pyren
  • Pyren [German]
  • RTECS UV6370000
  • UNII-9E0T7WFW93

Systematic Name

  • Pyrene

Superlist Names

  • Coal tar pitch volatiles: pyrene
  • Pyrene

Registry Numbers

CAS Registry Number

  • 129-00-0

FDA UNII

  • 9E0T7WFW93

Other Registry Number

  • 76165-23-6

System Generated Number

  • 0000129000

Structure Descriptors

InChI

1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

InChIKey

BBEAQIROQSPTKN-UHFFFAOYSA-N

Smiles

c12c3c4ccc1cccc2ccc3ccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 514mg/kg (514mg/kg)   Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
mouse LD50 oral 800mg/kg (800mg/kg) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat LC50 inhalation 170mg/m3 (170mg/m3) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat LD50 oral 2700mg/kg (2700mg/kg) BEHAVIORAL: EXCITEMENT

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 151.2 deg C   EXP
Boiling Point 404 deg C   EXP
log P (octanol-water) 4.88 (none)   EXP
Water Solubility 0.135 mg/L 25 EXP
Vapor Pressure 4.50E-06 mm Hg 25 EXP
Henry's Law Constant 1.19E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EXP

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