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Substance Name: Veratrole
RN: 91-16-7
UNII: 61WJZ2Q41I
InChIKey: ABDKAPXRBAPSQN-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-O2

Molecular Weight

  • 138.165
 
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Names and Synonyms

Name of Substance

  • Veratrole

Synonyms

  • 1,2-Dimethoxybenzene
  • 2-Dimethoxybenzol
  • 2-Methoxyanisole
  • AI3-02281
  • Benzene, 1,2-dimethoxy-
  • Benzene, o-dimethoxy-
  • Brenzkatechindimethylether
  • Catechol dimethyl ether
  • Dimethylether pyrokatechinu
  • Dimethylether pyrokatechinu [Czech]
  • EC 202-045-3
  • EINECS 202-045-3
  • FEMA No. 3799
  • NSC 16934
  • O,O-Dimethyl catechol
  • o-Dimethoxybenzene
  • Pyrocatechol dimethyl ether
  • Synthol
  • UNII-61WJZ2Q41I
  • Veratrol
  • Veratrole

Systematic Names

  • 1,2-Dimethoxybenzene
  • Benzene, 1,2-dimethoxy-
  • Benzene, o-dimethoxy-
  • Veratrole

Superlist Name

  • Veratrole

Registry Numbers

CAS Registry Number

  • 91-16-7

FDA UNII

  • 61WJZ2Q41I

System Generated Number

  • 0000091167

Structure Descriptors

InChI

InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3

InChIKey

ABDKAPXRBAPSQN-UHFFFAOYSA-N

Smiles

COc1ccccc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 54, 1982.
rat LD50 oral 890mg/kg (890mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 54, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22.5 deg C   EXP
Boiling Point 206 deg C   EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 3670 mg/L 25 EST
Vapor Pressure 0.47 mm Hg 25 EXP
Henry's Law Constant 1.89E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.50E-11 cm3/molecule-sec 24 EXP

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