Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,4,6-Trichloroanisole
RN: 87-40-1
UNII: 31O3X41254
InChIKey: WCVOGSZTONGSQY-UHFFFAOYSA-N

Note

  • Cork taint compound.

Molecular Formula

  • C7-H5-Cl3-O

Molecular Weight

  • 211.475
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,4,6-Trichloroanisole

Synonyms

  • 1,3,5-Trichloro-2-methoxybenzene
  • 2,4,6-TCA
  • 2,4,6-Trichloroanisole
  • AI3-09173
  • EINECS 201-743-5
  • Methyl 2,4,6-trichlorophenyl ether
  • NSC 35142
  • Trichloroanisole
  • Tyrene
  • UNII-31O3X41254

Systematic Names

  • 2,4,6-Trichloroanisole
  • Anisole, 2,4,6-trichloro- (8CI)
  • Benzene, 1,3,5-trichloro-2-methoxy-
  • Benzene, 1,3,5-trichloro-2-methoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 87-40-1

FDA UNII

  • 31O3X41254

System Generated Number

  • 0000087401

Structure Descriptors

InChI

1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

InChIKey

WCVOGSZTONGSQY-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)cc1Cl)Cl)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61.5 deg C   EXP
Boiling Point 241 deg C   EXP
log P (octanol-water) 4.11 (none)   EXP
Water Solubility 10 mg/L 20 EXP
Vapor Pressure 0.023 mm Hg 25 EST
Henry's Law Constant 1.30E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-12 cm3/molecule-sec 25 EST

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