9,11-Octadecadienoic acid, (9E,11Z)-

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  • Identifiers

    CAS number
    872-23-1

    Molecular formula
    C18H32O2

    SMILES
    CCCCCC/C=C\C=C\CCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.2%
    Oily 59.1%
    Waxy 52.64%
    Dairy 30.47%
    Green 26.75%
    Milky 24.88%
    Creamy 23.67%
    Fishy 22.74%
    Meaty 22.71%
    Sweet 22.4%

     

    Flavor
    Fatty 41.39%
    Faint 29.39%
    Waxy 26.29%
    Slightly waxy 21.4%
    Bay oil 20.28%
    Delicate 19.96%
    Diterpene 19.52%
    Low 19.48%
    Oriental 19.43%
    Pumpkin 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.38 (neutral)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 204.17 ˚C est.

  • Synonyms

    • 9E,11Z-octadecadienoic acid
    • 9,11-Octadecadienoic acid, (9E,11Z)-
    • 9-trans,11-cis-Linoleic acid
    • W0H9Y5Y19X
    • Conjugated linoleic acid, (9E,11Z)-
    • 9-trans,11-cis-Octadecadienoic acid
    • 872-23-1
    • RefChem:1074841
    • 9-trans
    • UNII-W0H9Y5Y19X
    • (9E,11Z)-9,11-Octadecadienoic acid
    • 11-cis-Linoleic acid
    • NSC7886
    • 9,11-Octadecadienoic acid, (Z,E)-
    • 9E,11Z-
    • OCTADECA-9,11-DIENOIC ACID
    • (9E,11Z)-octadeca-9,11-dienoic acid
    • (9Z,11E)-9,11-octadecadienoic acid
    • SCHEMBL1271892
    • JBYXPOFIGCOSSB-UQGDGPGGSA-N
    • LMFA02000307
    • trans,cis-9,11-octadecadienoic acid
    • Q27292142
    • 872-23-1

  • Applications

    9,11-Octadecadienoic acid, (9E,11Z) (CAS number: 872-23-1) is an unsaturated fatty acid used as an oleochemical feedstock and building block for fatty acid esters entering cosmetics and personal care formulations (emollients and surfactant precursors); in perfumery it can serve as a fragrance ingredient or potential fixative; it also provides raw material for polymer and plasticizer derivatives used in coatings, inks, and adhesives; it can serve as a feedstock for surfactant production and cleaning formulations via saponification and esterification; in industrial manufacturing it may function as a biobased component of lubricants and processing aids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 220.46
    methanol 158.59
    isopropanol 212.99
    water 0.01
    ethyl acetate 202.04
    n-propanol 186.74
    acetone 229.88
    n-butanol 204.49
    acetonitrile 44.91
    DMF 333.78
    toluene 76.78
    isobutanol 156.06
    1,4-dioxane 257.35
    methyl acetate 109.38
    THF 911.11
    2-butanone 238.77
    n-pentanol 183.59
    sec-butanol 191.62
    n-hexane 64.51
    ethylene glycol 6.76
    NMP 437.09
    cyclohexane 88.09
    DMSO 597.9
    n-butyl acetate 287.93
    n-octanol 91.79
    chloroform 283.83
    n-propyl acetate 268.77
    acetic acid 69.26
    dichloromethane 310.02
    cyclohexanone 491.32
    propylene glycol 33.29
    isopropyl acetate 222.01
    DMAc 469.66
    2-ethoxyethanol 259.08
    isopentanol 236.92
    n-heptane 34.72
    ethyl formate 74.32
    1,2-dichloroethane 313.51
    n-hexanol 170.0
    2-methoxyethanol 277.99
    isobutyl acetate 202.87
    tetrachloromethane 64.23
    n-pentyl acetate 249.8
    transcutol 1159.8
    n-heptanol 99.76
    ethylbenzene 75.72
    MIBK 283.92
    2-propoxyethanol 302.15
    tert-butanol 298.66
    MTBE 358.12
    2-butoxyethanol 225.41
    propionic acid 81.41
    o-xylene 74.76
    formic acid 13.98
    diethyl ether 284.99
    m-xylene 81.14
    p-xylene 89.17
    chlorobenzene 105.1
    dimethyl carbonate 41.29
    n-octane 14.24
    formamide 29.48
    cyclopentanone 486.24
    2-pentanone 307.08
    anisole 157.75
    cyclopentyl methyl ether 419.32
    gamma-butyrolactone 353.47
    1-methoxy-2-propanol 329.29
    pyridine 186.18
    3-pentanone 180.44
    furfural 242.57
    n-dodecane 9.08
    diethylene glycol 107.54
    diisopropyl ether 119.81
    tert-amyl alcohol 270.6
    acetylacetone 280.6
    n-hexadecane 10.74
    acetophenone 176.53
    methyl propionate 147.86
    isopentyl acetate 302.12
    trichloroethylene 397.72
    n-nonanol 93.38
    cyclohexanol 228.76
    benzyl alcohol 106.02
    2-ethylhexanol 139.3
    isooctanol 108.4
    dipropyl ether 251.23
    1,2-dichlorobenzene 123.72
    ethyl lactate 94.87
    propylene carbonate 189.5
    n-methylformamide 85.29
    2-pentanol 181.07
    n-pentane 33.75
    1-propoxy-2-propanol 302.81
    1-methoxy-2-propyl acetate 282.37
    2-(2-methoxypropoxy) propanol 207.4
    mesitylene 66.17
    ε-caprolactone 382.51
    p-cymene 57.47
    epichlorohydrin 478.98
    1,1,1-trichloroethane 243.87
    2-aminoethanol 44.34
    morpholine-4-carbaldehyde 348.44
    sulfolane 672.17
    2,2,4-trimethylpentane 28.4
    2-methyltetrahydrofuran 567.2
    n-hexyl acetate 275.5
    isooctane 22.76
    2-(2-butoxyethoxy)ethanol 320.67
    sec-butyl acetate 221.45
    tert-butyl acetate 320.59
    decalin 47.15
    glycerin 45.91
    diglyme 579.5
    acrylic acid 41.34
    isopropyl myristate 103.75
    n-butyric acid 225.71
    acetyl acetate 91.71
    di(2-ethylhexyl) phthalate 79.51
    ethyl propionate 194.43
    nitromethane 131.41
    1,2-diethoxyethane 437.61
    benzonitrile 101.2
    trioctyl phosphate 65.15
    1-bromopropane 229.55
    gamma-valerolactone 564.64
    n-decanol 66.02
    triethyl phosphate 102.9
    4-methyl-2-pentanol 129.86
    propionitrile 72.59
    vinylene carbonate 118.7
    1,1,2-trichlorotrifluoroethane 274.26
    DMS 119.1
    cumene 64.63
    2-octanol 80.67
    2-hexanone 304.36
    octyl acetate 119.13
    limonene 112.59
    1,2-dimethoxyethane 470.54
    ethyl orthosilicate 116.75
    tributyl phosphate 85.56
    diacetone alcohol 337.79
    N,N-dimethylaniline 134.99
    acrylonitrile 58.91
    aniline 91.64
    1,3-propanediol 105.61
    bromobenzene 119.35
    dibromomethane 236.89
    1,1,2,2-tetrachloroethane 444.29
    2-methyl-cyclohexyl acetate 213.88
    tetrabutyl urea 127.18
    diisobutyl methanol 99.98
    2-phenylethanol 119.15
    styrene 82.39
    dioctyl adipate 157.91
    dimethyl sulfate 100.96
    ethyl butyrate 225.38
    methyl lactate 79.42
    butyl lactate 176.79
    diethyl carbonate 107.31
    propanediol butyl ether 188.4
    triethyl orthoformate 181.78
    p-tert-butyltoluene 59.2
    methyl 4-tert-butylbenzoate 187.04
    morpholine 468.18
    tert-butylamine 201.56
    n-dodecanol 47.75
    dimethoxymethane 260.02
    ethylene carbonate 114.16
    cyrene 181.84
    2-ethoxyethyl acetate 271.24
    2-ethylhexyl acetate 239.64
    1,2,4-trichlorobenzene 145.62
    4-methylpyridine 213.37
    dibutyl ether 233.29
    2,6-dimethyl-4-heptanol 99.98
    DEF 321.09
    dimethyl isosorbide 408.7
    tetrachloroethylene 251.07
    eugenol 156.42
    triacetin 231.85
    span 80 195.62
    1,4-butanediol 40.07
    1,1-dichloroethane 236.16
    2-methyl-1-pentanol 194.15
    methyl formate 41.98
    2-methyl-1-butanol 193.58
    n-decane 19.06
    butyronitrile 130.91
    3,7-dimethyl-1-octanol 121.34
    1-chlorooctane 88.66
    1-chlorotetradecane 29.74
    n-nonane 18.46
    undecane 12.41
    tert-butylcyclohexane 40.94
    cyclooctane 26.52
    cyclopentanol 215.87
    tetrahydropyran 517.95
    tert-amyl methyl ether 276.39
    2,5,8-trioxanonane 362.7
    1-hexene 167.61
    2-isopropoxyethanol 236.91
    2,2,2-trifluoroethanol 20.12
    methyl butyrate 277.5

    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