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Substance Name: Isopropyl hexanoate
RN: 2311-46-8
UNII: 84AO2UI60U
InChIKey: JSHDAORXSNJOBA-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • Isopropyl hexanoate

Synonyms

  • 1-Methylethyl hexanoate
  • AI3-06020
  • EINECS 219-000-9
  • FEMA No. 2950
  • Hexanoic acid, 1-methylethyl ester
  • Hexanoic acid, isopropyl ester
  • Isopropyl caproate
  • Isopropyl capronate
  • Isopropyl hexanoate
  • Isopropyl hexanoate (natural)
  • Isopropyl hexylate
  • UNII-84AO2UI60U

Systematic Names

  • Hexanoic acid, 1-methylethyl ester
  • Isopropyl hexanoate

Superlist Name

  • Isopropyl hexanoate

Registry Numbers

CAS Registry Number

  • 2311-46-8

FDA UNII

  • 84AO2UI60U

System Generated Number

  • 0002311468

Structure Descriptors

InChI

1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3

InChIKey

JSHDAORXSNJOBA-UHFFFAOYSA-N

Smiles

C(C(OC(C)C)=O)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.250 (none)   EST
Water Solubility 118 mg/L 25 EST
Vapor Pressure 1.040 mm Hg 25 EST
Henry's Law Constant 9.60E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.94E-12 cm3/molecule-sec 25 EST

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