Octadec-9-enoate;bis(octadec-9-enoyl 3,4,5-trihydroxybenzoate)

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  • Identifiers

    CAS number
    27436-80-2

    Molecular formula
    C68H109O14-

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C1=CC(=C(C(=C1)O)O)O.CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C1=CC(=C(C(=C1)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 75.25%
    Waxy 66.59%
    Oily 49.54%
    Odorless 27.14%
    Dairy 26.33%
    Creamy 24.73%
    Milky 23.5%
    Meaty 22.91%
    Sweet 22.57%
    Savory 22.32%

     

    Flavor
    Fatty 36.24%
    Waxy 32.26%
    Faint 31.99%
    Mild 24.73%
    Bland 24.45%
    Fat 24.01%
    Slightly waxy 23.32%
    Delicate 21.57%
    Bay oil 21.04%
    Diterpene 20.15%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.74 (weak acid)

    Molecular weight
    1150.6 g/mol

    Flash point

    • 174.41 ˚C est.

  • Synonyms

    • 27436-80-2
    • DTXSID90724703
    • octadec-9-enoate;octadec-9-enoyl 3,4,5-trihydroxybenzoate
    • 27436-80-2

  • Applications

    Octadec-9-enoate;bis(octadec-9-enoyl 3,4,5-trihydroxybenzoate) (CAS 27436-80-2) is typically used as a lipophilic antioxidant and stabilizer in polymer formulations, coatings and inks, helping to retard oxidation and color changes during processing and service. It can function as a processing aid or plasticizer in certain lipid-rich or compatible polymer systems, improving flexibility and compatibility. In cosmetics and personal care, the diester may serve as an antioxidant and emollient component in lipid-based formulations. In industrial manufacturing, it is often evaluated as an intermediate for synthesizing other gallate antioxidants and related lipophilic additives for polymer or coating applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.29
    methanol 117.14
    isopropanol 197.2
    water 0.01
    ethyl acetate 320.56
    n-propanol 167.12
    acetone 295.61
    n-butanol 186.53
    acetonitrile 79.58
    DMF 387.54
    toluene 128.05
    isobutanol 151.99
    1,4-dioxane 374.25
    methyl acetate 160.52
    THF 1072.95
    2-butanone 299.46
    n-pentanol 165.24
    sec-butanol 178.67
    n-hexane 76.32
    ethylene glycol 7.39
    NMP 575.71
    cyclohexane 177.42
    DMSO 668.09
    n-butyl acetate 400.18
    n-octanol 112.12
    chloroform 509.39
    n-propyl acetate 371.17
    acetic acid 85.22
    dichloromethane 531.01
    cyclohexanone 733.24
    propylene glycol 33.17
    isopropyl acetate 319.43
    DMAc 492.84
    2-ethoxyethanol 254.72
    isopentanol 234.51
    n-heptane 49.67
    ethyl formate 113.36
    1,2-dichloroethane 534.32
    n-hexanol 174.29
    2-methoxyethanol 277.09
    isobutyl acetate 265.56
    tetrachloromethane 118.71
    n-pentyl acetate 381.62
    transcutol 1319.93
    n-heptanol 104.79
    ethylbenzene 113.91
    MIBK 364.86
    2-propoxyethanol 318.41
    tert-butanol 316.24
    MTBE 399.74
    2-butoxyethanol 241.65
    propionic acid 98.09
    o-xylene 118.73
    formic acid 14.54
    diethyl ether 338.39
    m-xylene 122.02
    p-xylene 142.96
    chlorobenzene 203.53
    dimethyl carbonate 58.94
    n-octane 22.01
    formamide 36.2
    cyclopentanone 689.49
    2-pentanone 391.08
    anisole 245.79
    cyclopentyl methyl ether 539.17
    gamma-butyrolactone 533.7
    1-methoxy-2-propanol 334.08
    pyridine 303.42
    3-pentanone 237.82
    furfural 396.72
    n-dodecane 13.54
    diethylene glycol 117.3
    diisopropyl ether 163.03
    tert-amyl alcohol 270.17
    acetylacetone 415.6
    n-hexadecane 16.51
    acetophenone 260.82
    methyl propionate 202.21
    isopentyl acetate 403.24
    trichloroethylene 718.51
    n-nonanol 113.24
    cyclohexanol 284.4
    benzyl alcohol 145.89
    2-ethylhexanol 161.59
    isooctanol 119.52
    dipropyl ether 302.75
    1,2-dichlorobenzene 252.93
    ethyl lactate 121.57
    propylene carbonate 298.22
    n-methylformamide 105.79
    2-pentanol 177.56
    n-pentane 44.15
    1-propoxy-2-propanol 331.26
    1-methoxy-2-propyl acetate 380.02
    2-(2-methoxypropoxy) propanol 260.62
    mesitylene 104.42
    ε-caprolactone 561.58
    p-cymene 88.17
    epichlorohydrin 721.46
    1,1,1-trichloroethane 488.5
    2-aminoethanol 43.4
    morpholine-4-carbaldehyde 463.1
    sulfolane 939.98
    2,2,4-trimethylpentane 36.34
    2-methyltetrahydrofuran 724.04
    n-hexyl acetate 401.34
    isooctane 29.52
    2-(2-butoxyethoxy)ethanol 377.68
    sec-butyl acetate 310.2
    tert-butyl acetate 456.63
    decalin 74.35
    glycerin 46.49
    diglyme 720.17
    acrylic acid 54.34
    isopropyl myristate 152.43
    n-butyric acid 270.99
    acetyl acetate 168.18
    di(2-ethylhexyl) phthalate 111.95
    ethyl propionate 288.67
    nitromethane 199.79
    1,2-diethoxyethane 547.16
    benzonitrile 176.72
    trioctyl phosphate 87.66
    1-bromopropane 360.96
    gamma-valerolactone 788.56
    n-decanol 78.74
    triethyl phosphate 150.82
    4-methyl-2-pentanol 136.43
    propionitrile 113.82
    vinylene carbonate 195.96
    1,1,2-trichlorotrifluoroethane 383.34
    DMS 193.28
    cumene 93.06
    2-octanol 100.59
    2-hexanone 371.07
    octyl acetate 175.25
    limonene 172.96
    1,2-dimethoxyethane 533.51
    ethyl orthosilicate 159.77
    tributyl phosphate 119.87
    diacetone alcohol 411.22
    N,N-dimethylaniline 184.58
    acrylonitrile 101.36
    aniline 133.67
    1,3-propanediol 95.9
    bromobenzene 250.38
    dibromomethane 394.79
    1,1,2,2-tetrachloroethane 754.59
    2-methyl-cyclohexyl acetate 299.58
    tetrabutyl urea 175.18
    diisobutyl methanol 125.77
    2-phenylethanol 157.2
    styrene 134.33
    dioctyl adipate 233.77
    dimethyl sulfate 148.98
    ethyl butyrate 324.25
    methyl lactate 99.8
    butyl lactate 231.08
    diethyl carbonate 166.47
    propanediol butyl ether 215.61
    triethyl orthoformate 252.79
    p-tert-butyltoluene 89.64
    methyl 4-tert-butylbenzoate 266.48
    morpholine 584.02
    tert-butylamine 217.4
    n-dodecanol 58.25
    dimethoxymethane 294.68
    ethylene carbonate 189.28
    cyrene 231.95
    2-ethoxyethyl acetate 398.1
    2-ethylhexyl acetate 334.15
    1,2,4-trichlorobenzene 282.57
    4-methylpyridine 335.52
    dibutyl ether 318.32
    2,6-dimethyl-4-heptanol 125.77
    DEF 400.26
    dimethyl isosorbide 556.69
    tetrachloroethylene 424.15
    eugenol 218.46
    triacetin 372.08
    span 80 251.2
    1,4-butanediol 39.86
    1,1-dichloroethane 424.05
    2-methyl-1-pentanol 187.79
    methyl formate 59.32
    2-methyl-1-butanol 184.69
    n-decane 29.76
    butyronitrile 185.66
    3,7-dimethyl-1-octanol 146.19
    1-chlorooctane 138.11
    1-chlorotetradecane 44.9
    n-nonane 29.43
    undecane 18.92
    tert-butylcyclohexane 58.51
    cyclooctane 48.9
    cyclopentanol 254.7
    tetrahydropyran 666.68
    tert-amyl methyl ether 325.98
    2,5,8-trioxanonane 470.62
    1-hexene 188.46
    2-isopropoxyethanol 247.66
    2,2,2-trifluoroethanol 30.22
    methyl butyrate 395.21

    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