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Substance Name: 2,2-Diethoxypropane
RN: 126-84-1
UNII: 18I1QHH2K2
InChIKey: FGQLGYBGTRHODR-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Name of Substance

  • 2,2-Diethoxypropane

Synonyms

  • 2,2-Diethoxypropane
  • 4-01-00-03200 (Beilstein Handbook Reference)
  • Acetone diethyl acetal
  • Acetone diethyl ketal
  • BRN 0741878
  • EINECS 204-808-6
  • NSC 528014
  • Propane, 2,2-diethoxy-
  • UNII-18I1QHH2K2
  • USAF DO-44

Systematic Names

  • 2,2-Diethoxypropane
  • Acetone, diethyl acetal
  • Propane, 2,2-diethoxy-

Registry Numbers

CAS Registry Number

  • 126-84-1

FDA UNII

  • 18I1QHH2K2

System Generated Number

  • 0000126841

Structure Descriptors

InChI

1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3

InChIKey

FGQLGYBGTRHODR-UHFFFAOYSA-N

Smiles

C(OCC)(OCC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 114 deg C   EXP
log P (octanol-water) 2.360 (none)   EST
Water Solubility 864 mg/L 25 EST
Vapor Pressure 17.5 mm Hg 25 EST
Henry's Law Constant 1.57E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EXP

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