Methyl hydroxyoctadecadienoate

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  • Identifiers

    CAS number
    11068-01-2

    Molecular formula
    C19H34O3

    SMILES
    COC(=O)/C=C/C=C/CCCCCCCCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.32%
    Waxy 52.21%
    Oily 48.44%
    Fruity 39.68%
    Sweet 33.21%
    Citrus 30.14%
    Dairy 26.92%
    Fresh 26.75%
    Buttery 26.07%
    Milky 25.4%

     

    Flavor
    Waxy 56.19%
    Fruity 41.94%
    Fatty 34.74%
    Oily 33.31%
    Floral 31.91%
    Soapy 28.68%
    Sweet 28.0%
    Creamy 24.76%
    Green 23.32%
    Clean 22.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.68 (neutral)

    Molecular weight
    310.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    433°C

    Flash point

    • 193.0 ˚C est.

  • Synonyms

    • Methyl hydroxyoctadecadienoate
    • 11068-01-2
    • RefChem:157898
    • Octadecadienoic acid, hydroxy-, methyl ester
    • methyl (2E,4E)-18-hydroxyoctadeca-2,4-dienoate
    • CCRIS 674
    • 11068-01-2

  • Applications

    Methyl hydroxyoctadecadienoate (CAS 11068-01-2) is an 18-carbon hydroxy fatty acid methyl ester used as a versatile intermediate in a range of industrial applications. In cosmetics and personal care, it is used as an emollient and as a precursor for synthesizing other skin- and hair-friendly esters. In polymers and plastics, it can serve as a building block for polyester or polyurethane chemistries and can function as a plasticizer or processing additive. In coatings and inks, it can act as a lubricant or softening additive to improve flexibility and gloss. In agricultural formulations and cleaners, it may act as a nonionic surfactant or co-emulsifier to enhance wetting and dispersion. In pharmaceutical and fine-chemical synthesis, it can be used as an intermediate for further functionalization via the hydroxyl group. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.26
    methanol 37.24
    isopropanol 25.84
    water 0.01
    ethyl acetate 90.72
    n-propanol 27.18
    acetone 83.78
    n-butanol 31.44
    acetonitrile 24.45
    DMF 151.68
    toluene 35.37
    isobutanol 25.55
    1,4-dioxane 137.34
    methyl acetate 60.88
    THF 447.09
    2-butanone 92.38
    n-pentanol 31.23
    sec-butanol 32.51
    n-hexane 6.31
    ethylene glycol 2.83
    NMP 280.0
    cyclohexane 30.26
    DMSO 411.62
    n-butyl acetate 89.45
    n-octanol 25.29
    chloroform 283.23
    n-propyl acetate 115.12
    acetic acid 45.52
    dichloromethane 332.6
    cyclohexanone 293.77
    propylene glycol 10.46
    isopropyl acetate 88.92
    DMAc 276.56
    2-ethoxyethanol 96.76
    isopentanol 45.96
    n-heptane 6.51
    ethyl formate 43.6
    1,2-dichloroethane 250.36
    n-hexanol 27.03
    2-methoxyethanol 102.04
    isobutyl acetate 73.0
    tetrachloromethane 54.09
    n-pentyl acetate 108.88
    transcutol 512.89
    n-heptanol 23.86
    ethylbenzene 29.04
    MIBK 103.47
    2-propoxyethanol 84.34
    tert-butanol 63.26
    MTBE 82.96
    2-butoxyethanol 82.47
    propionic acid 37.89
    o-xylene 35.56
    formic acid 11.22
    diethyl ether 61.1
    m-xylene 31.19
    p-xylene 38.6
    chlorobenzene 63.69
    dimethyl carbonate 30.3
    n-octane 3.59
    formamide 26.54
    cyclopentanone 318.45
    2-pentanone 106.38
    anisole 75.31
    cyclopentyl methyl ether 167.35
    gamma-butyrolactone 271.13
    1-methoxy-2-propanol 108.0
    pyridine 117.61
    3-pentanone 80.63
    furfural 197.49
    n-dodecane 2.49
    diethylene glycol 39.02
    diisopropyl ether 28.68
    tert-amyl alcohol 64.57
    acetylacetone 161.35
    n-hexadecane 3.01
    acetophenone 102.33
    methyl propionate 70.89
    isopentyl acetate 96.39
    trichloroethylene 382.13
    n-nonanol 26.59
    cyclohexanol 70.37
    benzyl alcohol 48.72
    2-ethylhexanol 29.87
    isooctanol 28.35
    dipropyl ether 61.02
    1,2-dichlorobenzene 85.68
    ethyl lactate 50.31
    propylene carbonate 138.41
    n-methylformamide 43.49
    2-pentanol 27.88
    n-pentane 4.35
    1-propoxy-2-propanol 86.63
    1-methoxy-2-propyl acetate 117.25
    2-(2-methoxypropoxy) propanol 90.85
    mesitylene 26.74
    ε-caprolactone 220.05
    p-cymene 23.46
    epichlorohydrin 348.2
    1,1,1-trichloroethane 200.62
    2-aminoethanol 11.92
    morpholine-4-carbaldehyde 210.67
    sulfolane 556.77
    2,2,4-trimethylpentane 7.14
    2-methyltetrahydrofuran 223.71
    n-hexyl acetate 103.68
    isooctane 4.4
    2-(2-butoxyethoxy)ethanol 130.53
    sec-butyl acetate 84.95
    tert-butyl acetate 138.55
    decalin 13.6
    glycerin 21.67
    diglyme 308.47
    acrylic acid 27.99
    isopropyl myristate 36.74
    n-butyric acid 83.81
    acetyl acetate 67.79
    di(2-ethylhexyl) phthalate 34.8
    ethyl propionate 88.38
    nitromethane 114.89
    1,2-diethoxyethane 148.31
    benzonitrile 58.92
    trioctyl phosphate 24.67
    1-bromopropane 105.8
    gamma-valerolactone 383.13
    n-decanol 17.57
    triethyl phosphate 58.13
    4-methyl-2-pentanol 26.52
    propionitrile 29.94
    vinylene carbonate 97.39
    1,1,2-trichlorotrifluoroethane 236.14
    DMS 63.16
    cumene 23.95
    2-octanol 20.62
    2-hexanone 110.12
    octyl acetate 43.62
    limonene 41.67
    1,2-dimethoxyethane 224.24
    ethyl orthosilicate 60.18
    tributyl phosphate 34.78
    diacetone alcohol 146.64
    N,N-dimethylaniline 59.76
    acrylonitrile 35.42
    aniline 42.83
    1,3-propanediol 27.66
    bromobenzene 77.57
    dibromomethane 198.18
    1,1,2,2-tetrachloroethane 417.67
    2-methyl-cyclohexyl acetate 92.56
    tetrabutyl urea 55.63
    diisobutyl methanol 27.03
    2-phenylethanol 43.74
    styrene 34.5
    dioctyl adipate 71.86
    dimethyl sulfate 90.18
    ethyl butyrate 96.28
    methyl lactate 41.29
    butyl lactate 74.74
    diethyl carbonate 56.19
    propanediol butyl ether 70.09
    triethyl orthoformate 83.22
    p-tert-butyltoluene 23.86
    methyl 4-tert-butylbenzoate 101.94
    morpholine 203.85
    tert-butylamine 39.05
    n-dodecanol 12.76
    dimethoxymethane 111.37
    ethylene carbonate 88.39
    cyrene 112.71
    2-ethoxyethyl acetate 139.17
    2-ethylhexyl acetate 77.05
    1,2,4-trichlorobenzene 106.67
    4-methylpyridine 103.55
    dibutyl ether 64.76
    2,6-dimethyl-4-heptanol 27.03
    DEF 151.72
    dimethyl isosorbide 220.46
    tetrachloroethylene 235.67
    eugenol 83.39
    triacetin 135.8
    span 80 81.02
    1,4-butanediol 12.05
    1,1-dichloroethane 152.27
    2-methyl-1-pentanol 42.88
    methyl formate 31.63
    2-methyl-1-butanol 39.01
    n-decane 5.29
    butyronitrile 43.19
    3,7-dimethyl-1-octanol 31.97
    1-chlorooctane 28.37
    1-chlorotetradecane 9.12
    n-nonane 4.92
    undecane 3.38
    tert-butylcyclohexane 9.87
    cyclooctane 7.46
    cyclopentanol 70.76
    tetrahydropyran 181.48
    tert-amyl methyl ether 77.25
    2,5,8-trioxanonane 187.64
    1-hexene 21.73
    2-isopropoxyethanol 78.73
    2,2,2-trifluoroethanol 21.53
    methyl butyrate 139.77

    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