Hexanoic acid, 4-methyl-, ethyl ester

CAS Registry Number®

1561-10-0
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CAS Name

Hexanoic acid, 4-methyl-, ethyl ester

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

Hexanoic acid, 4-methyl-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1561-10-0 (retrieved 2024-09-07) (CAS RN: 1561-10-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XLBBXJVJKKWJTQ-UHFFFAOYSA-N

SMILES

C(CC(CC)C)C(OCC)=O

Canonical SMILES

O=C(OCC)CCC(C)CC

Other Names for this Substance

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