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Substance Name: Catechol diacetate
RN: 635-67-6
UNII: 17XEB07K1M
InChIKey: FBSAITBEAPNWJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O4

Molecular Weight

  • 194.185
 
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Names and Synonyms

Name of Substance

  • Catechol diacetate

Synonyms

  • 1,2-Diacetoxybenzene
  • 4-06-00-05582 (Beilstein Handbook Reference)
  • AI3-03602
  • BRN 1912242
  • Catechol diacetate
  • EINECS 211-240-2
  • o-Acetoxyphenyl acetate
  • o-Diacetoxybenzene
  • o-Phenylene diacetate
  • Pyrocatechol, diacetate
  • UNII-17XEB07K1M

Systematic Names

  • 1,2-Benzenediol, diacetate
  • o-Phenylene di(acetate)

Registry Numbers

CAS Registry Number

  • 635-67-6

FDA UNII

  • 17XEB07K1M

System Generated Number

  • 0000635676

Structure Descriptors

InChI

1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3

InChIKey

FBSAITBEAPNWJG-UHFFFAOYSA-N

Smiles

c1(c(OC(C)=O)cccc1)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 371mg/kg (371mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 241, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.5 deg C   EXP
log P (octanol-water) 1.870 (none)   EST
Atmospheric OH Rate Constant 1.56E-12 cm3/molecule-sec 25 EST

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