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Substance Name: Ethyl 2-acetylhexanoate
RN: 1540-29-0
UNII: CKN84UW7SK
InChIKey: ZTOQBHVLCJERBS-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-O3

Molecular Weight

  • 186.249
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-acetylhexanoate

Synonyms

  • AI3-02543
  • EINECS 216-271-5
  • UNII-CKN84UW7SK

Systematic Names

  • Ethyl 2-acetylhexanoate
  • Hexanoic acid, 2-acetyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1540-29-0

FDA UNII

  • CKN84UW7SK

System Generated Number

  • 0001540290

Structure Descriptors

InChI

1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3

InChIKey

ZTOQBHVLCJERBS-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 221.5 deg C   EXP
log P (octanol-water) 1.690 (none)   EST
Atmospheric OH Rate Constant 9.53E-12 cm3/molecule-sec 25 EST

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