3-Methylbutyl hexadecanoate

CAS Registry Number®

81974-61-0

CAS Name

3-Methylbutyl hexadecanoate

Molecular Formula

C21H42O2

Molecular Mass

326.56

Cite this Page

3-Methylbutyl hexadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81974-61-0 (retrieved 2024-11-22) (CAS RN: 81974-61-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    260 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3

InChIKey

InChIKey=NXBIDOXPIIWDMX-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCCCCCCC)(OCCC(C)C)=O

Canonical SMILES

O=C(OCCC(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Hexadecanoic acid, 3-methylbutyl ester
  • 3-Methylbutyl hexadecanoate