Methyl trans-9,cis-12-octadecadienoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20221-27-6

    Molecular formula
    C19H34O2

    SMILES
    CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 82.14%
    Oily 65.86%
    Waxy 52.22%
    Fruity 48.05%
    Sweet 27.07%
    Dairy 26.22%
    Creamy 23.11%
    Buttery 22.87%
    Citrus 22.22%
    Green 22.15%

     

    Flavor
    Faint 24.32%
    Fatty 20.68%
    Waxy 20.52%
    Delicate 19.36%
    Slightly waxy 19.27%
    Low 18.98%
    Diterpene 18.88%
    Oriental 18.6%
    Honeydew 18.06%
    Bay oil 18.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.58 (neutral)

    Molecular weight
    294.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 167.58 ˚C est.

  • Synonyms

    • 20221-27-6
    • DTXSID301282658
    • Methyl trans-9,cis-12-octadecadienoate
    • RefChem:1089649
    • DTXCID00911485
    • methyl (9E,12Z)-octadeca-9,12-dienoate
    • SCHEMBL29898251
    • Cis-9, trans-12 methyl linoleate
    • MSK1890-100M
    • Methyl (9E,12Z)-octadecadienoate Solution in Methanol, 100ug/mL
    • methyl (9E,12Z)-octadeca-9,12-dienoate

  • Applications

    Methyl trans-9,cis-12-octadecadienoate (CAS 20221-27-6) is the methyl ester of a fatty acid with a trans-9 and cis-12 double bond configuration. In practice, applications are centered in the oleochemical and biodiesel sectors: it may serve as a feedstock for biodiesel production; used as an intermediate in the synthesis of specialty fatty-ester derivatives for lubricants and plastics; acts as a solvent or carrier for fragrances and flavors in fragrance and flavor formulations; functions as a plasticizer or processing aid in polymers, coatings, and inks; and may serve as a precursor to surfactant or emulsifier derivatives depending on formulation conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.54
    methanol 227.74
    isopropanol 286.37
    water 0.01
    ethyl acetate 899.81
    n-propanol 296.25
    acetone 662.67
    n-butanol 352.9
    acetonitrile 211.32
    DMF 546.52
    toluene 316.02
    isobutanol 252.92
    1,4-dioxane 944.79
    methyl acetate 432.0
    THF 1750.92
    2-butanone 739.35
    n-pentanol 282.26
    sec-butanol 353.03
    n-hexane 94.78
    ethylene glycol 8.45
    NMP 730.51
    cyclohexane 367.17
    DMSO 852.37
    n-butyl acetate 684.73
    n-octanol 127.89
    chloroform 1526.98
    n-propyl acetate 831.2
    acetic acid 177.41
    dichloromethane 1807.87
    cyclohexanone 1515.61
    propylene glycol 36.14
    isopropyl acetate 686.77
    DMAc 882.66
    2-ethoxyethanol 459.98
    isopentanol 397.17
    n-heptane 62.17
    ethyl formate 261.86
    1,2-dichloroethane 1373.63
    n-hexanol 226.59
    2-methoxyethanol 459.68
    isobutyl acetate 474.02
    tetrachloromethane 287.39
    n-pentyl acetate 605.38
    transcutol 2288.08
    n-heptanol 135.81
    ethylbenzene 215.27
    MIBK 625.94
    2-propoxyethanol 440.14
    tert-butanol 473.92
    MTBE 852.24
    2-butoxyethanol 332.48
    propionic acid 174.26
    o-xylene 232.11
    formic acid 26.14
    diethyl ether 966.23
    m-xylene 227.78
    p-xylene 271.4
    chlorobenzene 429.85
    dimethyl carbonate 113.22
    n-octane 23.97
    formamide 61.74
    cyclopentanone 1186.91
    2-pentanone 879.24
    anisole 445.51
    cyclopentyl methyl ether 1004.46
    gamma-butyrolactone 888.98
    1-methoxy-2-propanol 473.23
    pyridine 765.55
    3-pentanone 587.79
    furfural 635.53
    n-dodecane 13.72
    diethylene glycol 139.67
    diisopropyl ether 268.82
    tert-amyl alcohol 480.46
    acetylacetone 804.96
    n-hexadecane 17.0
    acetophenone 444.8
    methyl propionate 466.86
    isopentyl acetate 648.34
    trichloroethylene 1864.15
    n-nonanol 129.16
    cyclohexanol 516.01
    benzyl alcohol 251.36
    2-ethylhexanol 212.99
    isooctanol 149.83
    dipropyl ether 515.25
    1,2-dichlorobenzene 459.05
    ethyl lactate 188.28
    propylene carbonate 484.21
    n-methylformamide 163.16
    2-pentanol 317.21
    n-pentane 65.19
    1-propoxy-2-propanol 428.79
    1-methoxy-2-propyl acetate 607.95
    2-(2-methoxypropoxy) propanol 340.53
    mesitylene 164.11
    ε-caprolactone 1108.86
    p-cymene 126.55
    epichlorohydrin 1430.33
    1,1,1-trichloroethane 1129.88
    2-aminoethanol 49.16
    morpholine-4-carbaldehyde 710.76
    sulfolane 1163.24
    2,2,4-trimethylpentane 50.35
    2-methyltetrahydrofuran 1483.29
    n-hexyl acetate 575.23
    isooctane 33.77
    2-(2-butoxyethoxy)ethanol 509.5
    sec-butyl acetate 596.43
    tert-butyl acetate 817.91
    decalin 104.47
    glycerin 51.88
    diglyme 1178.7
    acrylic acid 96.08
    isopropyl myristate 188.58
    n-butyric acid 536.21
    acetyl acetate 393.06
    di(2-ethylhexyl) phthalate 138.76
    ethyl propionate 658.44
    nitromethane 446.87
    1,2-diethoxyethane 1023.08
    benzonitrile 326.0
    trioctyl phosphate 99.38
    1-bromopropane 897.6
    gamma-valerolactone 1383.0
    n-decanol 84.15
    triethyl phosphate 231.91
    4-methyl-2-pentanol 191.24
    propionitrile 284.55
    vinylene carbonate 349.61
    1,1,2-trichlorotrifluoroethane 660.9
    DMS 291.66
    cumene 142.75
    2-octanol 117.92
    2-hexanone 721.3
    octyl acetate 219.27
    limonene 262.59
    1,2-dimethoxyethane 1112.86
    ethyl orthosilicate 248.09
    tributyl phosphate 145.34
    diacetone alcohol 614.48
    N,N-dimethylaniline 289.37
    acrylonitrile 228.66
    aniline 283.06
    1,3-propanediol 136.18
    bromobenzene 542.84
    dibromomethane 1215.48
    1,1,2,2-tetrachloroethane 1784.43
    2-methyl-cyclohexyl acetate 444.76
    tetrabutyl urea 221.26
    diisobutyl methanol 155.96
    2-phenylethanol 227.74
    styrene 273.82
    dioctyl adipate 306.72
    dimethyl sulfate 219.02
    ethyl butyrate 621.92
    methyl lactate 131.71
    butyl lactate 309.76
    diethyl carbonate 300.08
    propanediol butyl ether 243.59
    triethyl orthoformate 419.59
    p-tert-butyltoluene 120.41
    methyl 4-tert-butylbenzoate 364.43
    morpholine 1375.15
    tert-butylamine 317.15
    n-dodecanol 61.42
    dimethoxymethane 561.61
    ethylene carbonate 342.88
    cyrene 301.09
    2-ethoxyethyl acetate 701.92
    2-ethylhexyl acetate 513.84
    1,2,4-trichlorobenzene 530.33
    4-methylpyridine 768.86
    dibutyl ether 482.41
    2,6-dimethyl-4-heptanol 155.96
    DEF 904.28
    dimethyl isosorbide 711.8
    tetrachloroethylene 1032.74
    eugenol 293.79
    triacetin 521.05
    span 80 322.42
    1,4-butanediol 52.03
    1,1-dichloroethane 1133.4
    2-methyl-1-pentanol 325.46
    methyl formate 101.85
    2-methyl-1-butanol 358.31
    n-decane 31.25
    butyronitrile 442.93
    3,7-dimethyl-1-octanol 172.29
    1-chlorooctane 165.17
    1-chlorotetradecane 49.74
    n-nonane 31.56
    undecane 19.22
    tert-butylcyclohexane 73.16
    cyclooctane 73.39
    cyclopentanol 390.95
    tetrahydropyran 1768.39
    tert-amyl methyl ether 660.8
    2,5,8-trioxanonane 655.33
    1-hexene 308.71
    2-isopropoxyethanol 395.39
    2,2,2-trifluoroethanol 50.91
    methyl butyrate 904.27

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction