Methyl (13E)-13-docosenoate

CAS Registry Number®

7439-44-3
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CAS Name

Methyl (13E)-13-docosenoate

Molecular Formula

C23H44O2

Molecular Mass

352.59

Cite this Page

Methyl (13E)-13-docosenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7439-44-3 (retrieved 2024-09-07) (CAS RN: 7439-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    175-185 °C @ Press: 0.5 Torr

  • Melting Point (2)

    33 °C

  • Density (3)

    0.8638 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10+

InChIKey

InChIKey=ZYNDJIBBPLNPOW-ZHACJKMWSA-N

SMILES

C(CCCCCC/C=C/CCCCCCCC)CCCCC(OC)=O

Canonical SMILES

O=C(OC)CCCCCCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • 13-Docosenoic acid, methyl ester, (13E)-
  • 13-Docosenoic acid, methyl ester, (E)-
  • Methyl (13E)-13-docosenoate
  • Methyl brassidate
  • Methyl trans-13-docosenoate