Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propanol, 1,3-diisopropoxy-
RN: 13021-54-0
InChIKey: AJJGRBMYVRSEES-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H20-O3

Molecular Weight

  • 176.254
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1,3-Diisopropoxy-2-propanol
  • 1,3-Diisopropyl glycerol diether
  • 4-01-00-02756 (Beilstein Handbook Reference)
  • BRN 1699805
  • Glycerol alpha,gamma-diisopropyl ether
  • NSC 46561

Systematic Names

  • 2-Propanol, 1,3-bis(1-methylethoxy)- (9CI)
  • 2-Propanol, 1,3-diisopropoxy-

Registry Numbers

CAS Registry Number

  • 13021-54-0

System Generated Number

  • 0013021540

Structure Descriptors

InChI

1S/C9H20O3/c1-7(2)11-5-9(10)6-12-8(3)4/h7-10H,5-6H2,1-4H3

InChIKey

AJJGRBMYVRSEES-UHFFFAOYSA-N

Smiles

OC(COC(C)C)COC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1697mg/kg (1697mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 2, Pg. 574, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.560 (none)   EST
Water Solubility 2.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 4.35E-11 cm3/molecule-sec 25 EST

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