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Substance Name: 2-Methylpyrene
RN: 3442-78-2
UNII: 8X002JQ34N
InChIKey: VIRFPLJXRDHVEI-UHFFFAOYSA-N

Molecular Formula

  • C17-H12

Molecular Weight

  • 216.282
 
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Names and Synonyms

Name of Substance

  • 2-Methylpyrene

Synonyms

  • 2-Methylpyrene
  • EINECS 222-352-6
  • HSDB 2161
  • Pyrene, 2-methyl-
  • UNII-8X002JQ34N

Systematic Names

  • 2-Methylpyrene
  • Pyrene, 2-methyl-

Registry Numbers

CAS Registry Number

  • 3442-78-2

FDA UNII

  • 8X002JQ34N

System Generated Number

  • 0003442782

Structure Descriptors

InChI

1S/C17H12/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13/h2-10H,1H3

InChIKey

VIRFPLJXRDHVEI-UHFFFAOYSA-N

Smiles

c12c3c4ccc1cc(C)cc2ccc3ccc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.480 (none)   EST
Water Solubility 0.584 mg/L 25 EST
Vapor Pressure 1.75E-06 mm Hg 25 EST
Henry's Law Constant 3.15E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EST

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