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Substance Name: 1,6,7-Trimethylnaphthalene
RN: 2245-38-7
UNII: 4WC055TBJ9
InChIKey: JBXULKRNHAQMAS-UHFFFAOYSA-N

Molecular Formula

  • C13-H14

Molecular Weight

  • 170.254
 
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Names and Synonyms

Name of Substance

  • 1,6,7-Trimethylnaphthalene

Synonyms

  • 1,6,7-Trimethylnaphthalene
  • 2,3,5-Trimethylnaphthalene
  • AI3-28792
  • EINECS 218-833-5
  • Naphthalene, 2,3,5-trimethyl-
  • NSC 89511
  • UNII-4WC055TBJ9

Systematic Names

  • 1,6,7-Trimethylnaphthalene
  • Naphthalene, 1,6,7-trimethyl-
  • Naphthalene, 1,6,7-trimethyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 2245-38-7

FDA UNII

  • 4WC055TBJ9

System Generated Number

  • 0002245387

Structure Descriptors

InChI

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

InChIKey

JBXULKRNHAQMAS-UHFFFAOYSA-N

Smiles

c12c(cc(C)c(c2)C)cccc1C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.810 (none)   EST
Water Solubility 4.780 mg/L 25 EST
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.