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Substance Name: Heptyl hexanoate
RN: 6976-72-3
InChIKey: QEKCBKVWQYEUGY-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Synonyms

  • AI3-31118
  • EINECS 230-239-8
  • Heptyl hexanoate

Systematic Names

  • Heptyl hexanoate
  • Hexanoic acid, heptyl ester

Registry Numbers

CAS Registry Number

  • 6976-72-3

System Generated Number

  • 0006976723

Structure Descriptors

InChI

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

InChIKey

QEKCBKVWQYEUGY-UHFFFAOYSA-N

Smiles

O(CCCCCCC)C(=O)CCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.44E+01 deg C   EXP
Boiling Point 261 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.