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Substance Name: n-Hexyl valerate
RN: 1117-59-5
UNII: 4223QQU9RL
InChIKey: YERFHJZYNMRVLO-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • n-Hexyl valerate

Synonyms

  • 1-Hexyl n-valerate
  • AI3-30516
  • EINECS 214-248-4
  • Hexyl pentanoate
  • Hexyl valerate
  • Hexyl valerianate
  • NSC 21861
  • UNII-4223QQU9RL

Systematic Names

  • Hexyl valerate
  • Pentanoic acid, hexyl ester
  • Valeric acid, hexyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 1117-59-5

FDA UNII

  • 4223QQU9RL

System Generated Number

  • 0001117595

Structure Descriptors

InChI

InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3

InChIKey

YERFHJZYNMRVLO-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.31E+01 deg C   EXP
Boiling Point 226.3 deg C   EXP
log P (octanol-water) 4.300 (none)   EST
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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