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Substance Name: 1,3-Di(3-methylbutoxy)-2-propanol
RN: 626-78-8
UNII: 8B3IJ2VL05
InChIKey: ARRCKRNGGJHASO-UHFFFAOYSA-N

Molecular Formula

  • C13-H28-O3

Molecular Weight

  • 232.361
 
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Names and Synonyms

Name of Substance

  • 1,3-Di(3-methylbutoxy)-2-propanol

Synonyms

  • 1,3-Diisoamyl glycerol diether
  • 1,3-Diisoamyloxy-2-propanol
  • 2-Propanol, 1,3-di(isopentyloxy)-
  • 4-01-00-02757 (Beilstein Handbook Reference)
  • AI3-03555
  • BRN 1753036
  • NSC 26600
  • UNII-8B3IJ2VL05

Systematic Names

  • 2-Propanol, 1,3-bis(3-methylbutoxy)-
  • 2-Propanol, 1,3-bis(isopentyloxy)- (8CI)
  • 2-Propanol, 1,3-diisopentyloxy-

Registry Numbers

CAS Registry Number

  • 626-78-8

FDA UNII

  • 8B3IJ2VL05

System Generated Number

  • 0000626788

Structure Descriptors

InChI

1S/C13H28O3/c1-11(2)5-7-15-9-13(14)10-16-8-6-12(3)4/h11-14H,5-10H2,1-4H3

InChIKey

ARRCKRNGGJHASO-UHFFFAOYSA-N

Smiles

OC(COCCC(C)C)COCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 660mg/kg (660mg/kg)   Personal Communication from H.E. Christensen, Bethesda, MD, Oct. 18, 1973Vol. 18OCT1973,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.530 (none)   EST
Water Solubility 1.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 4.67E-11 cm3/molecule-sec 25 EST

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