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Substance Name: Hexanoic acid, 4-methyl-, ethyl ester
RN: 1561-10-0
InChIKey: XLBBXJVJKKWJTQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Synonyms

  • EINECS 216-335-2
  • Ethyl 4-methylhexanoate

Systematic Names

  • Ethyl 4-methylhexanoate
  • Hexanoic acid, 4-methyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1561-10-0

System Generated Number

  • 0001561100

Structure Descriptors

InChI

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

InChIKey

XLBBXJVJKKWJTQ-UHFFFAOYSA-N

Smiles

O=C(CC[C@@H](CC)C)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 180 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 7.85E-12 cm3/molecule-sec 25 EST

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