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Substance Name: 1,4,5-Trimethylnaphthalene
RN: 2131-41-1
UNII: E310186658
InChIKey: FSAWRQYDMHSDRN-UHFFFAOYSA-N

Molecular Formula

  • C13-H14

Molecular Weight

  • 170.254
 
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Names and Synonyms

Name of Substance

  • 1,4,5-Trimethylnaphthalene

Synonyms

  • 1,4,5-Trimethylnaphthalene
  • EINECS 218-356-2
  • UNII-E310186658

Systematic Names

  • 1,4,5-Trimethylnaphthalene
  • Naphthalene, 1,4,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 2131-41-1

FDA UNII

  • E310186658

System Generated Number

  • 0002131411

Structure Descriptors

InChI

1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3

InChIKey

FSAWRQYDMHSDRN-UHFFFAOYSA-N

Smiles

c12c(c(ccc1C)C)c(ccc2)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.9 (none)   EXP
Water Solubility 2.1 mg/L 25 EXP
Vapor Pressure 2.52E-03 mm Hg 25 EST
Henry's Law Constant 7.07E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.24E-10 cm3/molecule-sec 25 EST

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