9,10,13-Trihydroxy-(E)-11-octadecenoic acid

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  • Identifiers

    CAS number
    29907-57-1

    Molecular formula
    C18H34O5

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

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.46%
    Lactonic 35.08%
    Odorless 34.23%
    Fruity 33.8%
    Peach 33.08%
    Fatty 30.14%
    Sweet 29.64%
    Fresh 29.36%
    Milky 28.78%
    Buttery 28.19%

     

    Flavor
    Odorless 39.83%
    Mild 31.59%
    Fatty 28.3%
    Waxy 27.37%
    Oily 26.94%
    Green 24.85%
    Bland 24.29%
    Sweet 22.4%
    Herbal 22.38%
    Sweet-like 22.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.41 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 227.18 ˚C est.

  • Synonyms

    • 9,10,13-Trihydroxy-11-octadecenoic acid
    • 29907-57-1
    • (E)-9,10,13-Trihydroxy-11-octadecenoic acid
    • 9,10,13-3OHC18A
    • DTXSID90904326
    • 9,10,13-trihydroxy-(E)-11-octadecenoic acid
    • RefChem:914657
    • DTXCID401333484
    • 9,10,13-TriHOME
    • (11E)-9,10,13-Trihydroxyoctadec-11-enoic acid
    • (E)-9,10,13-trihydroxyoctadec-11-enoic acid
    • 9,10,13-TriHOME(11)
    • 185253-41-2
    • 11-Octadecenoic acid, 9,10,13-trihydroxy-, (11E)-
    • SCHEMBL1134687
    • CHEBI:34499
    • LMFA02000168
    • (11E)-9,10,13-trihydroxyoctadecenoic acid
    • 11-Octadecenoic acid, 9,10,13-trihydroxy-, (E)-
    • Q27116111
    • 29907-57-1

  • Applications

    9,10,13-Trihydroxy-(E)-11-octadecenoic acid, CAS 29907-57-1, is primarily used as a multifunctional building block or intermediate in polymer and resin synthesis, serving as a monomer or crosslinking-enabled component for polyesters, polyurethanes and alkyd resins. In cosmetics and personal care, it may function as an emollient and humectant due to its long hydrophobic chain and multiple hydroxyl groups, and as a precursor to skin-care derivatives. In coatings and inks, it can be used as a bio-based resin modifier or functional additive to improve film-forming properties and chemical resistance. It is also commonly evaluated as an intermediate for producing other hydroxy fatty acid derivatives, expanding its use in specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.12
    methanol 207.0
    isopropanol 26.44
    water 0.67
    ethyl acetate 22.39
    n-propanol 33.64
    acetone 43.31
    n-butanol 27.98
    acetonitrile 5.0
    DMF 160.59
    toluene 4.86
    isobutanol 18.81
    1,4-dioxane 43.83
    methyl acetate 13.93
    THF 174.99
    2-butanone 22.74
    n-pentanol 24.52
    sec-butanol 19.23
    n-hexane 1.17
    ethylene glycol 24.14
    NMP 197.14
    cyclohexane 2.62
    DMSO 561.63
    n-butyl acetate 18.87
    n-octanol 18.33
    chloroform 8.31
    n-propyl acetate 19.78
    acetic acid 79.76
    dichloromethane 9.24
    cyclohexanone 71.6
    propylene glycol 40.45
    isopropyl acetate 25.33
    DMAc 217.64
    2-ethoxyethanol 116.36
    isopentanol 30.64
    n-heptane 1.24
    ethyl formate 14.32
    1,2-dichloroethane 13.95
    n-hexanol 21.08
    2-methoxyethanol 198.5
    isobutyl acetate 14.3
    tetrachloromethane 2.77
    n-pentyl acetate 22.27
    transcutol 352.2
    n-heptanol 21.37
    ethylbenzene 5.52
    MIBK 32.52
    2-propoxyethanol 92.56
    tert-butanol 44.88
    MTBE 17.97
    2-butoxyethanol 68.75
    propionic acid 33.47
    o-xylene 7.99
    formic acid 78.4
    diethyl ether 11.75
    m-xylene 7.73
    p-xylene 6.1
    chlorobenzene 4.76
    dimethyl carbonate 17.59
    n-octane 0.94
    formamide 106.83
    cyclopentanone 93.97
    2-pentanone 32.0
    anisole 15.71
    cyclopentyl methyl ether 53.58
    gamma-butyrolactone 99.5
    1-methoxy-2-propanol 150.99
    pyridine 20.0
    3-pentanone 18.22
    furfural 69.64
    n-dodecane 0.69
    diethylene glycol 92.64
    diisopropyl ether 6.71
    tert-amyl alcohol 32.69
    acetylacetone 66.51
    n-hexadecane 0.75
    acetophenone 26.71
    methyl propionate 25.32
    isopentyl acetate 25.27
    trichloroethylene 22.79
    n-nonanol 18.45
    cyclohexanol 35.44
    benzyl alcohol 22.46
    2-ethylhexanol 13.26
    isooctanol 18.16
    dipropyl ether 12.01
    1,2-dichlorobenzene 7.57
    ethyl lactate 27.21
    propylene carbonate 43.8
    n-methylformamide 60.02
    2-pentanol 16.57
    n-pentane 0.83
    1-propoxy-2-propanol 63.95
    1-methoxy-2-propyl acetate 49.48
    2-(2-methoxypropoxy) propanol 68.03
    mesitylene 6.06
    ε-caprolactone 68.58
    p-cymene 5.63
    epichlorohydrin 67.27
    1,1,1-trichloroethane 7.92
    2-aminoethanol 62.27
    morpholine-4-carbaldehyde 151.88
    sulfolane 246.29
    2,2,4-trimethylpentane 1.33
    2-methyltetrahydrofuran 56.83
    n-hexyl acetate 30.15
    isooctane 0.97
    2-(2-butoxyethoxy)ethanol 115.59
    sec-butyl acetate 16.83
    tert-butyl acetate 44.84
    decalin 2.21
    glycerin 90.46
    diglyme 169.84
    acrylic acid 30.58
    isopropyl myristate 11.25
    n-butyric acid 51.92
    acetyl acetate 19.18
    di(2-ethylhexyl) phthalate 17.21
    ethyl propionate 16.62
    nitromethane 85.32
    1,2-diethoxyethane 42.54
    benzonitrile 10.71
    trioctyl phosphate 13.56
    1-bromopropane 4.48
    gamma-valerolactone 163.9
    n-decanol 12.22
    triethyl phosphate 14.39
    4-methyl-2-pentanol 16.21
    propionitrile 5.0
    vinylene carbonate 28.39
    1,1,2-trichlorotrifluoroethane 99.65
    DMS 23.03
    cumene 5.63
    2-octanol 11.89
    2-hexanone 22.38
    octyl acetate 15.66
    limonene 9.2
    1,2-dimethoxyethane 102.17
    ethyl orthosilicate 15.17
    tributyl phosphate 14.89
    diacetone alcohol 101.62
    N,N-dimethylaniline 19.18
    acrylonitrile 7.87
    aniline 12.37
    1,3-propanediol 91.29
    bromobenzene 4.18
    dibromomethane 5.66
    1,1,2,2-tetrachloroethane 26.25
    2-methyl-cyclohexyl acetate 24.48
    tetrabutyl urea 23.49
    diisobutyl methanol 10.86
    2-phenylethanol 20.96
    styrene 4.98
    dioctyl adipate 23.83
    dimethyl sulfate 53.41
    ethyl butyrate 16.8
    methyl lactate 46.8
    butyl lactate 38.95
    diethyl carbonate 10.15
    propanediol butyl ether 78.8
    triethyl orthoformate 18.63
    p-tert-butyltoluene 6.4
    methyl 4-tert-butylbenzoate 46.17
    morpholine 83.76
    tert-butylamine 16.21
    n-dodecanol 8.18
    dimethoxymethane 92.29
    ethylene carbonate 24.46
    cyrene 75.48
    2-ethoxyethyl acetate 40.34
    2-ethylhexyl acetate 16.67
    1,2,4-trichlorobenzene 10.68
    4-methylpyridine 17.57
    dibutyl ether 12.74
    2,6-dimethyl-4-heptanol 10.86
    DEF 57.14
    dimethyl isosorbide 110.71
    tetrachloroethylene 20.55
    eugenol 45.7
    triacetin 47.84
    span 80 60.56
    1,4-butanediol 31.07
    1,1-dichloroethane 5.85
    2-methyl-1-pentanol 26.62
    methyl formate 32.68
    2-methyl-1-butanol 23.57
    n-decane 1.33
    butyronitrile 7.05
    3,7-dimethyl-1-octanol 18.26
    1-chlorooctane 5.64
    1-chlorotetradecane 2.1
    n-nonane 1.16
    undecane 0.91
    tert-butylcyclohexane 1.77
    cyclooctane 1.47
    cyclopentanol 42.15
    tetrahydropyran 35.03
    tert-amyl methyl ether 20.13
    2,5,8-trioxanonane 125.99
    1-hexene 3.56
    2-isopropoxyethanol 69.26
    2,2,2-trifluoroethanol 31.29
    methyl butyrate 25.47

    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