Octyl acetoacetate

CAS Registry Number®

16436-00-3

CAS Name

Octyl acetoacetate

Molecular Formula

C12H22O3

Molecular Mass

214.30

Cite this Page

Octyl acetoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16436-00-3 (retrieved 2024-11-23) (CAS RN: 16436-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-141 °C @ Press: 16 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h3-10H2,1-2H3

InChIKey

InChIKey=IKYDDBGYKFPTGF-UHFFFAOYSA-N

SMILES

C(OCCCCCCCC)(CC(C)=O)=O

Canonical SMILES

O=C(OCCCCCCCC)CC(=O)C

Other Names for this Substance

  • Butanoic acid, 3-oxo-, octyl ester
  • Acetoacetic acid, octyl ester
  • Octyl alcohol, acetoacetate
  • Octyl acetoacetate
  • 1-Octyl acetoacetate

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