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Substance Name: Pentanoic acid, 2-acetyl-, ethyl ester
RN: 1540-28-9
InChIKey: VHOACUZAQKMOEQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Synonyms

  • AI3-06005
  • EINECS 216-269-4
  • Ethyl 2-acetylpentanoate
  • Ethyl 2-acetylvalerate
  • Ethyl 2-propylacetoacetate
  • Ethyl alpha-propylacetoacetate
  • n-Amyl acetoacetate
  • NSC 6764
  • NSC 67958
  • Pentanoic acid, 2-acetyl-, ethyl ester
  • Valeric acid, 2-acetyl-, ethyl ester

Systematic Names

  • Ethyl 2-propylacetoacetate
  • Pentanoic acid, 2-acetyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1540-28-9

Other Registry Number

  • 123325-83-7

System Generated Number

  • 0001540289

Structure Descriptors

InChI

InChI=1S/C9H16O3/c1-4-6-8(7(3)10)9(11)12-5-2/h8H,4-6H2,1-3H3

InChIKey

VHOACUZAQKMOEQ-UHFFFAOYSA-N

Smiles

CCCC(C(=O)C)C(=O)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 224 deg C   EXP
log P (octanol-water) 1.200 (none)   EST
Atmospheric OH Rate Constant 8.12E-12 cm3/molecule-sec 25 EST

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