Isooctadecanoic acid, isooctadecyl ester

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  • Identifiers

    CAS number
    41669-30-1

    Molecular formula
    C36H72O2

    SMILES
    CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C

  • Odor profile

    Fragrance
    Waxy 78.24%
    Fatty 55.12%
    Oily 45.7%
    Odorless 32.91%
    Balsamic 19.78%
    Sweet 19.01%
    Creamy 18.81%
    Woody 17.92%
    Fishy 17.28%
    Clean 17.12%

     

    Flavor
    Waxy 48.79%
    Mild 37.69%
    Bland 35.27%
    Oily 32.1%
    Fatty 31.08%
    Faint 29.82%
    Alkane 26.13%
    Fat 24.79%
    Slightly waxy 24.42%
    Delicate 23.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.8

    pKa est.
    9.69 (weak base)

    Molecular weight
    537.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    544°C

    Flash point

    • 248.34 ˚C est.

  • Synonyms

    • Isostearyl isostearate
    • Isooctadecyl isooctadecanoate
    • 41669-30-1
    • 16-methylheptadecyl 16-methylheptadecanoate
    • Isooctadecanoic acid, isooctadecyl ester
    • UNII-IV0Z586Z4Y
    • IV0Z586Z4Y
    • CRODAMOL ISIS
    • SABODERM IS
    • DUB ISIS
    • EINECS 255-485-3
    • DERMOL 1818
    • SCHERCEMOL 1818 ESTER
    • DTXSID3068338
    • AEC ISOSTEARYL ISOSTEARATE
    • HEST I-18-18
    • EC 255-485-3
    • 16-Methylheptadecanoic acid, 16-methylheptadecyl ester
    • ISOSTEARYL ISOSTEARATE [USP-RS]
    • ISOSTEARYL ISOSTEARATE (USP-RS)
    • ISIS
    • SCHEMBL7060913
    • DTXCID7039965
    • ABEXEQSGABRUHS-UHFFFAOYSA-N
    • ISOSTEARYL ISOSTEARATE [INCI]
    • NS00004955
    • Q27280907

  • Applications

    Isooctadecanoic acid, isooctadecyl ester (CAS 41669-30-1) is a long-chain, branched fatty acid ester derived from iso-octadecanoic acid and isooctadecyl alcohol. Typical real-world applications include: as an emollient and conditioning agent in cosmetics/personal care; as a processing additive and wax-like lubricant in polymers/plastics and coatings/inks; as a plasticizer for polymer systems to increase flexibility; as a wax-like additive in household products such as polishes and cleaners to impart slip and gloss; and it may be used as a base component in wax ester formulations for industrial processing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.77
    methanol 4.52
    isopropanol 5.5
    water 0.04
    ethyl acetate 99.58
    n-propanol 9.09
    acetone 41.99
    n-butanol 12.24
    acetonitrile 12.08
    DMF 56.6
    toluene 48.98
    isobutanol 11.14
    1,4-dioxane 90.56
    methyl acetate 51.27
    THF 266.37
    2-butanone 76.66
    n-pentanol 14.25
    sec-butanol 14.32
    n-hexane 16.33
    ethylene glycol 0.52
    NMP 335.57
    cyclohexane 72.88
    DMSO 67.93
    n-butyl acetate 132.91
    n-octanol 36.42
    chloroform 394.33
    n-propyl acetate 124.28
    acetic acid 22.61
    dichloromethane 367.04
    cyclohexanone 321.84
    propylene glycol 1.9
    isopropyl acetate 119.56
    DMAc 202.4
    2-ethoxyethanol 32.02
    isopentanol 20.38
    n-heptane 20.69
    ethyl formate 34.52
    1,2-dichloroethane 197.94
    n-hexanol 15.19
    2-methoxyethanol 23.73
    isobutyl acetate 100.41
    tetrachloromethane 105.71
    n-pentyl acetate 273.47
    transcutol 301.1
    n-heptanol 29.76
    ethylbenzene 46.57
    MIBK 101.07
    2-propoxyethanol 40.18
    tert-butanol 15.95
    MTBE 66.68
    2-butoxyethanol 78.23
    propionic acid 24.07
    o-xylene 56.67
    formic acid 4.1
    diethyl ether 43.61
    m-xylene 44.16
    p-xylene 70.31
    chlorobenzene 107.37
    dimethyl carbonate 28.62
    n-octane 12.24
    formamide 8.34
    cyclopentanone 297.47
    2-pentanone 86.48
    anisole 85.51
    cyclopentyl methyl ether 191.42
    gamma-butyrolactone 267.14
    1-methoxy-2-propanol 32.69
    pyridine 111.66
    3-pentanone 95.13
    furfural 175.13
    n-dodecane 5.64
    diethylene glycol 11.59
    diisopropyl ether 40.89
    tert-amyl alcohol 34.31
    acetylacetone 150.83
    n-hexadecane 7.08
    acetophenone 131.5
    methyl propionate 71.47
    isopentyl acetate 160.17
    trichloroethylene 408.22
    n-nonanol 42.72
    cyclohexanol 52.53
    benzyl alcohol 33.46
    2-ethylhexanol 32.77
    isooctanol 41.64
    dipropyl ether 100.14
    1,2-dichlorobenzene 163.41
    ethyl lactate 43.48
    propylene carbonate 187.2
    n-methylformamide 18.42
    2-pentanol 14.88
    n-pentane 8.3
    1-propoxy-2-propanol 62.57
    1-methoxy-2-propyl acetate 151.11
    2-(2-methoxypropoxy) propanol 105.04
    mesitylene 42.29
    ε-caprolactone 315.51
    p-cymene 51.63
    epichlorohydrin 272.62
    1,1,1-trichloroethane 321.38
    2-aminoethanol 2.53
    morpholine-4-carbaldehyde 167.39
    sulfolane 496.23
    2,2,4-trimethylpentane 17.0
    2-methyltetrahydrofuran 231.34
    n-hexyl acetate 229.72
    isooctane 8.12
    2-(2-butoxyethoxy)ethanol 113.81
    sec-butyl acetate 129.67
    tert-butyl acetate 204.62
    decalin 33.34
    glycerin 4.37
    diglyme 326.45
    acrylic acid 17.03
    isopropyl myristate 78.58
    n-butyric acid 66.98
    acetyl acetate 88.77
    di(2-ethylhexyl) phthalate 57.84
    ethyl propionate 129.04
    nitromethane 63.52
    1,2-diethoxyethane 171.11
    benzonitrile 52.08
    trioctyl phosphate 41.09
    1-bromopropane 113.32
    gamma-valerolactone 372.93
    n-decanol 25.06
    triethyl phosphate 118.08
    4-methyl-2-pentanol 18.11
    propionitrile 18.65
    vinylene carbonate 125.67
    1,1,2-trichlorotrifluoroethane 168.51
    DMS 100.37
    cumene 39.26
    2-octanol 35.93
    2-hexanone 109.45
    octyl acetate 85.27
    limonene 94.55
    1,2-dimethoxyethane 123.93
    ethyl orthosilicate 120.43
    tributyl phosphate 61.5
    diacetone alcohol 118.67
    N,N-dimethylaniline 75.15
    acrylonitrile 17.94
    aniline 35.4
    1,3-propanediol 6.43
    bromobenzene 151.37
    dibromomethane 220.21
    1,1,2,2-tetrachloroethane 418.46
    2-methyl-cyclohexyl acetate 182.66
    tetrabutyl urea 95.55
    diisobutyl methanol 35.47
    2-phenylethanol 35.44
    styrene 49.06
    dioctyl adipate 136.77
    dimethyl sulfate 89.4
    ethyl butyrate 180.52
    methyl lactate 27.4
    butyl lactate 134.89
    diethyl carbonate 98.39
    propanediol butyl ether 54.41
    triethyl orthoformate 176.78
    p-tert-butyltoluene 48.68
    methyl 4-tert-butylbenzoate 210.74
    morpholine 104.93
    tert-butylamine 14.73
    n-dodecanol 16.61
    dimethoxymethane 49.28
    ethylene carbonate 117.03
    cyrene 114.52
    2-ethoxyethyl acetate 251.02
    2-ethylhexyl acetate 159.85
    1,2,4-trichlorobenzene 208.2
    4-methylpyridine 117.55
    dibutyl ether 140.86
    2,6-dimethyl-4-heptanol 35.47
    DEF 131.46
    dimethyl isosorbide 303.52
    tetrachloroethylene 241.38
    eugenol 116.95
    triacetin 267.93
    span 80 100.68
    1,4-butanediol 3.79
    1,1-dichloroethane 160.6
    2-methyl-1-pentanol 25.96
    methyl formate 17.18
    2-methyl-1-butanol 21.33
    n-decane 15.51
    butyronitrile 25.41
    3,7-dimethyl-1-octanol 49.4
    1-chlorooctane 69.83
    1-chlorotetradecane 19.46
    n-nonane 15.03
    undecane 8.49
    tert-butylcyclohexane 23.69
    cyclooctane 25.24
    cyclopentanol 43.3
    tetrahydropyran 161.79
    tert-amyl methyl ether 94.47
    2,5,8-trioxanonane 165.66
    1-hexene 30.41
    2-isopropoxyethanol 36.88
    2,2,2-trifluoroethanol 17.7
    methyl butyrate 166.55

    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