Methyl 2-(hexadecyloxy)-β-oxobenzenepropanoate

CAS Registry Number®

55017-92-0
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CAS Name

Methyl 2-(hexadecyloxy)-β-oxobenzenepropanoate

Molecular Formula

C26H42O4

Molecular Mass

418.61

Cite this Page

Methyl 2-(hexadecyloxy)-β-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55017-92-0 (retrieved 2024-09-20) (CAS RN: 55017-92-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    49-51 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-23(25)24(27)22-26(28)29-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3

InChIKey

InChIKey=IPJRKWPQYPZWAJ-UHFFFAOYSA-N

SMILES

O(CCCCCCCCCCCCCCCC)C1=C(C(CC(OC)=O)=O)C=CC=C1

Canonical SMILES

O=C(OC)CC(=O)C=1C=CC=CC1OCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Benzenepropanoic acid, 2-(hexadecyloxy)-β-oxo-, methyl ester
  • Methyl 2-(hexadecyloxy)-β-oxobenzenepropanoate
  • Methyl o-hexadecyloxybenzoylacetate