trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate

CAS Registry Number®

51-77-4
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CAS Name

trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate

Molecular Formula

C27H44O2

Molecular Mass

400.64

Cite this Page

trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51-77-4 (retrieved 2024-04-23) (CAS RN: 51-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    166.5 °C

  • Melting Point (1)

    <25 °C

  • Density (2)

    0.91 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+

InChIKey

InChIKey=ZPACYDRSPFRDHO-ROBAGEODSA-N

SMILES

C(=C/CCC(OC/C=C(/CCC=C(C)C)\C)=O)(\CC/C=C(/CCC=C(C)C)\C)/C

Canonical SMILES

O=C(OCC=C(C)CCC=C(C)C)CCC=C(C)CCC=C(C)CCC=C(C)C

Other Names for this Substance

  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (4E,8E)-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (4E,8E)-
  • trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate
  • Gefarnate

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Deleted or Replaced CAS Registry Numbers

30462-47-6

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