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Substance Name: Isopropyl caprylate
RN: 5458-59-3
UNII: GHK5I7U9ZD
InChIKey: WCGIIHOFOFCKSM-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • Isopropyl caprylate

Synonyms

  • AI3-30981
  • EINECS 226-721-2
  • UNII-GHK5I7U9ZD

Systematic Names

  • Isopropyl octanoate
  • Octanoic acid, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 5458-59-3

FDA UNII

  • GHK5I7U9ZD

System Generated Number

  • 0005458593

Structure Descriptors

InChI

1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3

InChIKey

WCGIIHOFOFCKSM-UHFFFAOYSA-N

Smiles

C(C(OC(C)C)=O)CCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.230 (none)   EST
Water Solubility 12.6 mg/L 25 EST
Henry's Law Constant 1.69E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-11 cm3/molecule-sec 25 EST

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