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Substance Name: Octyl valerate
RN: 5451-85-4
InChIKey: OUYCCOBIJYUMAK-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Synonyms

  • AI3-30577
  • EINECS 226-687-9

Systematic Names

  • Octyl valerate
  • Pentanoic acid, octyl ester

Registry Numbers

CAS Registry Number

  • 5451-85-4

System Generated Number

  • 0005451854

Structure Descriptors

InChI

1S/C13H26O2/c1-3-5-7-8-9-10-12-15-13(14)11-6-4-2/h3-12H2,1-2H3

InChIKey

OUYCCOBIJYUMAK-UHFFFAOYSA-N

Smiles

C(=O)(OCCCCCCCC)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.23E+01 deg C   EXP
Boiling Point 261.6 deg C   EXP
log P (octanol-water) 5.280 (none)   EST
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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