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Substance Name: Propionic acid, 2-(cyclohexyloxy)-2-methyl-
RN: 91007-35-1
InChIKey: OKFRDMBIDGPCCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H18-O3

Molecular Weight

  • 186.2492
 
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Names and Synonyms

Synonyms

  • 2-(Cyclohexyloxy)-2-methylpropionic acid
  • 3-06-00-00033 (Beilstein Handbook Reference)
  • BRN 2556044
  • MG 6845
  • Propanoic acid, 2-(cyclohexyloxy)-2-methyl-

Systematic Name

  • Propionic acid, 2-(cyclohexyloxy)-2-methyl-

Registry Numbers

CAS Registry Number

  • 91007-35-1

System Generated Number

  • 0091007351

Structure Descriptors

InChI

1S/C10H18O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)

InChIKey

OKFRDMBIDGPCCX-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)O)OC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 833, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 75 deg C   EXP
log P (octanol-water) 2.460 (none)   EST
Water Solubility 1.55E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 2.64E-11 cm3/molecule-sec 25 EST

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