Methyl (E,Z)-13-hydroxy-9,11-octadecadienoate

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  • Identifiers

    CAS number
    6410-93-1

    Molecular formula
    C19H34O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.87%
    Fruity 56.33%
    Oily 52.81%
    Waxy 46.71%
    Peach 33.04%
    Buttery 32.07%
    Dairy 31.17%
    Green 30.65%
    Lactonic 30.54%
    Milky 29.09%

     

    Flavor
    Waxy 47.56%
    Fruity 37.65%
    Floral 37.28%
    Oily 34.47%
    Melon 29.8%
    Fresh 29.59%
    Fatty 29.42%
    Green 29.36%
    Tropical 26.26%
    Citrus 25.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.74 (neutral)

    Molecular weight
    310.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Flash point

    • 176.75 ˚C est.

  • Synonyms

    • Methyl (E,Z)-13-hydroxy-9,11-octadecadienoate
    • 6410-93-1
    • 9,11-Octadecadienoic acid, 13-hydroxy-, methyl ester, (E,Z)-
    • 6410-93-1

  • Applications

    Methyl (E,Z)-13-hydroxy-9,11-octadecadienoate (CAS 6410-93-1) is typically regarded as a functional intermediate in industrial and cosmetic applications, with several representative uses: as an emollient ester component in cosmetics and personal care formulations; as a synthetic precursor for hydroxy fatty acid derivatives and specialty esters used in pharmaceutical and cosmetic intermediates; as a component in polymer and coating formulations, including alkyd resins, or as a plasticizer/additive in polymer processing; as a surfactant or cleaning aid in household and industrial cleaning products due to its long-chain fatty ester characteristics; as an adjuvant in agricultural spray formulations to improve spread and deposition on plant surfaces; and as a potential fragrance intermediate or building block for aroma compounds, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.06
    methanol 314.83
    isopropanol 180.78
    water 0.02
    ethyl acetate 351.9
    n-propanol 176.84
    acetone 390.11
    n-butanol 179.9
    acetonitrile 102.22
    DMF 378.5
    toluene 96.12
    isobutanol 125.53
    1,4-dioxane 478.97
    methyl acetate 200.17
    THF 1104.43
    2-butanone 330.05
    n-pentanol 147.37
    sec-butanol 170.12
    n-hexane 10.46
    ethylene glycol 10.12
    NMP 440.44
    cyclohexane 52.09
    DMSO 932.77
    n-butyl acetate 231.78
    n-octanol 58.92
    chloroform 579.62
    n-propyl acetate 300.4
    acetic acid 155.01
    dichloromethane 708.87
    cyclohexanone 666.69
    propylene glycol 38.62
    isopropyl acetate 262.39
    DMAc 558.09
    2-ethoxyethanol 334.11
    isopentanol 193.58
    n-heptane 8.12
    ethyl formate 135.3
    1,2-dichloroethane 551.27
    n-hexanol 105.46
    2-methoxyethanol 420.64
    isobutyl acetate 173.02
    tetrachloromethane 78.78
    n-pentyl acetate 207.74
    transcutol 1543.28
    n-heptanol 62.13
    ethylbenzene 63.66
    MIBK 264.32
    2-propoxyethanol 274.65
    tert-butanol 268.06
    MTBE 311.78
    2-butoxyethanol 195.66
    propionic acid 109.71
    o-xylene 76.45
    formic acid 37.42
    diethyl ether 288.05
    m-xylene 73.3
    p-xylene 79.69
    chlorobenzene 147.88
    dimethyl carbonate 65.18
    n-octane 4.39
    formamide 81.5
    cyclopentanone 632.98
    2-pentanone 358.76
    anisole 172.05
    cyclopentyl methyl ether 397.88
    gamma-butyrolactone 524.09
    1-methoxy-2-propanol 379.09
    pyridine 321.45
    3-pentanone 219.74
    furfural 393.63
    n-dodecane 3.63
    diethylene glycol 133.98
    diisopropyl ether 71.65
    tert-amyl alcohol 231.35
    acetylacetone 414.2
    n-hexadecane 4.33
    acetophenone 196.89
    methyl propionate 205.96
    isopentyl acetate 231.95
    trichloroethylene 811.94
    n-nonanol 58.87
    cyclohexanol 229.18
    benzyl alcohol 130.28
    2-ethylhexanol 80.37
    isooctanol 63.56
    dipropyl ether 131.52
    1,2-dichlorobenzene 162.82
    ethyl lactate 102.42
    propylene carbonate 263.65
    n-methylformamide 130.79
    2-pentanol 126.14
    n-pentane 8.11
    1-propoxy-2-propanol 220.49
    1-methoxy-2-propyl acetate 279.66
    2-(2-methoxypropoxy) propanol 193.31
    mesitylene 51.1
    ε-caprolactone 503.08
    p-cymene 41.09
    epichlorohydrin 796.09
    1,1,1-trichloroethane 364.03
    2-aminoethanol 50.34
    morpholine-4-carbaldehyde 444.55
    sulfolane 781.75
    2,2,4-trimethylpentane 11.71
    2-methyltetrahydrofuran 619.41
    n-hexyl acetate 217.29
    isooctane 7.46
    2-(2-butoxyethoxy)ethanol 312.21
    sec-butyl acetate 200.49
    tert-butyl acetate 314.42
    decalin 21.07
    glycerin 61.76
    diglyme 697.63
    acrylic acid 67.45
    isopropyl myristate 69.03
    n-butyric acid 295.26
    acetyl acetate 179.91
    di(2-ethylhexyl) phthalate 68.69
    ethyl propionate 214.21
    nitromethane 353.31
    1,2-diethoxyethane 394.12
    benzonitrile 140.27
    trioctyl phosphate 47.35
    1-bromopropane 250.84
    gamma-valerolactone 801.35
    n-decanol 38.25
    triethyl phosphate 93.12
    4-methyl-2-pentanol 84.43
    propionitrile 105.24
    vinylene carbonate 190.19
    1,1,2-trichlorotrifluoroethane 428.49
    DMS 128.12
    cumene 46.31
    2-octanol 45.57
    2-hexanone 277.36
    octyl acetate 84.87
    limonene 76.43
    1,2-dimethoxyethane 620.14
    ethyl orthosilicate 97.55
    tributyl phosphate 67.04
    diacetone alcohol 342.57
    N,N-dimethylaniline 117.97
    acrylonitrile 105.19
    aniline 123.26
    1,3-propanediol 132.75
    bromobenzene 166.43
    dibromomethane 418.92
    1,1,2,2-tetrachloroethane 736.92
    2-methyl-cyclohexyl acetate 171.57
    tetrabutyl urea 99.47
    diisobutyl methanol 55.05
    2-phenylethanol 114.37
    styrene 82.91
    dioctyl adipate 133.62
    dimethyl sulfate 143.8
    ethyl butyrate 195.82
    methyl lactate 96.23
    butyl lactate 151.76
    diethyl carbonate 110.72
    propanediol butyl ether 169.5
    triethyl orthoformate 147.52
    p-tert-butyltoluene 40.65
    methyl 4-tert-butylbenzoate 172.59
    morpholine 751.32
    tert-butylamine 131.47
    n-dodecanol 26.95
    dimethoxymethane 357.89
    ethylene carbonate 180.63
    cyrene 199.06
    2-ethoxyethyl acetate 301.18
    2-ethylhexyl acetate 171.45
    1,2,4-trichlorobenzene 196.54
    4-methylpyridine 287.95
    dibutyl ether 135.24
    2,6-dimethyl-4-heptanol 55.05
    DEF 384.94
    dimethyl isosorbide 390.99
    tetrachloroethylene 416.47
    eugenol 154.32
    triacetin 245.95
    span 80 174.38
    1,4-butanediol 44.57
    1,1-dichloroethane 374.98
    2-methyl-1-pentanol 153.39
    methyl formate 81.48
    2-methyl-1-butanol 161.31
    n-decane 7.51
    butyronitrile 167.16
    3,7-dimethyl-1-octanol 71.91
    1-chlorooctane 47.43
    1-chlorotetradecane 15.04
    n-nonane 6.66
    undecane 4.89
    tert-butylcyclohexane 15.94
    cyclooctane 10.2
    cyclopentanol 204.85
    tetrahydropyran 681.24
    tert-amyl methyl ether 220.73
    2,5,8-trioxanonane 407.46
    1-hexene 63.24
    2-isopropoxyethanol 239.3
    2,2,2-trifluoroethanol 44.82
    methyl butyrate 330.69

    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