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Substance Name: Heptyl valerate
RN: 5451-80-9
UNII: LR3J9VC6SC
InChIKey: YJARPRLGQQFGOI-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Heptyl valerate

Synonyms

  • 39840N
  • AI3-30517
  • EINECS 226-686-3
  • ENT 30517
  • Heptyl valerate
  • NSC 21862
  • UNII-LR3J9VC6SC

Systematic Names

  • Heptyl valerate
  • Pentanoic acid, heptyl ester
  • Valeric acid, heptyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 5451-80-9

FDA UNII

  • LR3J9VC6SC

System Generated Number

  • 0005451809

Structure Descriptors

InChI

1S/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3

InChIKey

YJARPRLGQQFGOI-UHFFFAOYSA-N

Smiles

O=C(OCCCCCCC)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.64E+01 deg C   EXP
Boiling Point 245.2 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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