Methyl tridecanoate

  • Identifiers

    CAS number
    1731-88-0

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCCCCC(=O)OC

    Retention indicies (RI)

    • DB5: 1635.0
    • Carbowax: 1895.0

  • Odor profile

    fatty 76.82%
    waxy 75.88%
    oily 68.16%
    fruity 52.26%
    sweet 51.28%
    creamy 44.39%
    winey 38.85%
    dairy 36.71%
    cognac 35.75%
    soapy 34.9%

    Scent© AI

  • Properties

    XLogP3-AA
    6.3 Well soluble in IPM, DOA, IPP

    Molecular weight
    228.37 g/mol

  • Synonyms

    • METHYL TRIDECANOATE
    • 1731-88-0
    • Tridecanoic acid, methyl ester
    • Tridecanoic acid methyl ester
    • Methyl n-tridecanoate
    • UNII-O2H463RING
    • EINECS 217-054-8
    • O2H463RING
    • MFCD00008977
    • NSC 163375
    • BRN 1769695
    • n-Tridecanoic acid methyl ester
    • Methyl tridecanoate ester
    • NSC-163375
    • DTXSID8061923
    • Methyl ester of tridecanoic acid
    • 4-02-00-01118 (Beilstein Handbook Reference)
    • MethylTridecanoate
    • Methyl cocoate
    • Tridecanoic acid,methyl ester
    • tridecanoic acid-methyl ester
    • Tridecanoic Acid Methyl Ester; Methyl n-Tridecanoate; NSC 163375
    • methyl tridecylate
    • Methyl ntridecanoate
    • QSPL 203
    • SCHEMBL1647268
    • DTXCID6035524
    • CHEBI:143578
    • EINECS 267-018-0
    • Methyl tridecanoate, >=97% (GC)
    • NSC163375
    • AKOS015839775
    • CS-W004287
    • HY-W004287
    • Methyl tridecanoate, analytical standard
    • AS-60387
    • SY051771
    • DB-043928
    • NS00025675
    • T0960
    • H10828
    • Q24764359
    • EF80D759-D71D-495A-A128-F98E5A2D6415
    • 217-054-8
1 4

Botanical

Name CAS Botanical Proportion
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.08%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%