9-Octadecenoic acid (9Z)-, isooctadecyl ester

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  • Identifiers

    CAS number
    57683-45-1

    Molecular formula
    C36H70O2

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

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  • Odor profile

    Fragrance
    Waxy 72.74%
    Fatty 63.63%
    Oily 52.45%
    Odorless 29.49%
    Sweet 22.47%
    Creamy 19.76%
    Balsamic 18.8%
    Fishy 17.53%
    Fruity 16.74%
    Dairy 16.38%

     

    Flavor
    Waxy 43.86%
    Mild 31.75%
    Faint 31.05%
    Bland 30.68%
    Fatty 29.01%
    Oily 26.1%
    Slightly waxy 23.27%
    Alkane 23.19%
    Delicate 22.26%
    Bay oil 20.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.1

    pKa est.
    9.03 (weak base)

    Molecular weight
    534.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    552°C

    Flash point

    • 244.68 ˚C est.

  • Synonyms

    • 9-Octadecenoic acid (9Z)-, isooctadecyl ester
    • 57683-45-1
    • DTXSID0069200
    • RefChem:108121
    • DTXCID4042250
    • SCHEMBL8829564
    • 57683-45-1

  • Applications

    9-Octadecenoic acid (9Z)-, isooctadecyl ester (CAS 57683-45-1) also known as isooctadecyl oleate, is a long-chain fatty ester primarily used as an emollient and occlusive agent in cosmetics and personal care, providing slip, softness and improved moisturization. It is also employed as a lubricant and softener in polymer and plastic formulations, acting as a plasticizer to enhance processability and flexibility of films and coatings. In coatings and inks, this ester can serve as a lubricant and plasticizer additive to improve gloss and film formation. In perfumery, it can function as a carrier for fragrance ingredients or as a fixative due to its long hydrocarbon chain, aiding fragrance stability. Additionally, household products such as creams and cleansers may include it for conditioning and slip. In industrial manufacturing, it may be used as a wax ester-based lubricating or processing aid in plastics and rubber systems, depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.23
    methanol 4.71
    isopropanol 5.87
    water 0.02
    ethyl acetate 99.19
    n-propanol 9.63
    acetone 42.0
    n-butanol 13.94
    acetonitrile 11.39
    DMF 51.57
    toluene 56.37
    isobutanol 11.7
    1,4-dioxane 92.95
    methyl acetate 48.34
    THF 258.37
    2-butanone 75.17
    n-pentanol 15.34
    sec-butanol 14.99
    n-hexane 18.5
    ethylene glycol 0.45
    NMP 304.94
    cyclohexane 79.0
    DMSO 69.64
    n-butyl acetate 126.44
    n-octanol 36.0
    chloroform 368.94
    n-propyl acetate 119.71
    acetic acid 19.91
    dichloromethane 361.36
    cyclohexanone 313.83
    propylene glycol 1.7
    isopropyl acetate 114.42
    DMAc 190.18
    2-ethoxyethanol 31.52
    isopentanol 22.79
    n-heptane 22.71
    ethyl formate 31.97
    1,2-dichloroethane 208.78
    n-hexanol 16.29
    2-methoxyethanol 23.63
    isobutyl acetate 91.13
    tetrachloromethane 96.32
    n-pentyl acetate 249.97
    transcutol 299.61
    n-heptanol 29.45
    ethylbenzene 52.8
    MIBK 102.56
    2-propoxyethanol 39.49
    tert-butanol 16.54
    MTBE 69.75
    2-butoxyethanol 74.21
    propionic acid 21.93
    o-xylene 61.39
    formic acid 3.42
    diethyl ether 48.54
    m-xylene 49.13
    p-xylene 71.46
    chlorobenzene 105.73
    dimethyl carbonate 25.98
    n-octane 12.89
    formamide 7.02
    cyclopentanone 264.59
    2-pentanone 92.97
    anisole 89.62
    cyclopentyl methyl ether 191.72
    gamma-butyrolactone 225.35
    1-methoxy-2-propanol 33.36
    pyridine 114.22
    3-pentanone 96.07
    furfural 150.55
    n-dodecane 6.26
    diethylene glycol 10.72
    diisopropyl ether 42.69
    tert-amyl alcohol 33.54
    acetylacetone 144.13
    n-hexadecane 7.93
    acetophenone 125.18
    methyl propionate 67.96
    isopentyl acetate 150.18
    trichloroethylene 392.96
    n-nonanol 42.04
    cyclohexanol 54.72
    benzyl alcohol 33.47
    2-ethylhexanol 33.9
    isooctanol 39.88
    dipropyl ether 102.36
    1,2-dichlorobenzene 160.66
    ethyl lactate 38.56
    propylene carbonate 156.28
    n-methylformamide 16.12
    2-pentanol 16.51
    n-pentane 9.68
    1-propoxy-2-propanol 59.9
    1-methoxy-2-propyl acetate 140.73
    2-(2-methoxypropoxy) propanol 97.35
    mesitylene 44.67
    ε-caprolactone 302.68
    p-cymene 51.51
    epichlorohydrin 259.4
    1,1,1-trichloroethane 296.67
    2-aminoethanol 2.28
    morpholine-4-carbaldehyde 150.65
    sulfolane 425.08
    2,2,4-trimethylpentane 18.36
    2-methyltetrahydrofuran 232.19
    n-hexyl acetate 219.53
    isooctane 8.77
    2-(2-butoxyethoxy)ethanol 110.1
    sec-butyl acetate 123.54
    tert-butyl acetate 190.47
    decalin 38.77
    glycerin 3.76
    diglyme 304.56
    acrylic acid 14.82
    isopropyl myristate 75.16
    n-butyric acid 64.21
    acetyl acetate 81.52
    di(2-ethylhexyl) phthalate 54.53
    ethyl propionate 120.37
    nitromethane 55.16
    1,2-diethoxyethane 175.24
    benzonitrile 48.77
    trioctyl phosphate 38.92
    1-bromopropane 125.08
    gamma-valerolactone 330.95
    n-decanol 25.28
    triethyl phosphate 107.05
    4-methyl-2-pentanol 19.2
    propionitrile 18.72
    vinylene carbonate 101.63
    1,1,2-trichlorotrifluoroethane 151.91
    DMS 89.6
    cumene 42.23
    2-octanol 33.57
    2-hexanone 109.77
    octyl acetate 81.97
    limonene 95.89
    1,2-dimethoxyethane 116.8
    ethyl orthosilicate 113.33
    tributyl phosphate 57.12
    diacetone alcohol 107.51
    N,N-dimethylaniline 79.69
    acrylonitrile 17.46
    aniline 36.7
    1,3-propanediol 6.34
    bromobenzene 154.69
    dibromomethane 223.39
    1,1,2,2-tetrachloroethane 410.16
    2-methyl-cyclohexyl acetate 170.74
    tetrabutyl urea 92.65
    diisobutyl methanol 36.45
    2-phenylethanol 35.92
    styrene 54.4
    dioctyl adipate 129.18
    dimethyl sulfate 77.46
    ethyl butyrate 167.77
    methyl lactate 24.99
    butyl lactate 117.16
    diethyl carbonate 90.74
    propanediol butyl ether 49.68
    triethyl orthoformate 163.21
    p-tert-butyltoluene 48.19
    methyl 4-tert-butylbenzoate 186.77
    morpholine 106.04
    tert-butylamine 15.28
    n-dodecanol 17.21
    dimethoxymethane 48.96
    ethylene carbonate 96.53
    cyrene 103.47
    2-ethoxyethyl acetate 232.53
    2-ethylhexyl acetate 150.06
    1,2,4-trichlorobenzene 195.8
    4-methylpyridine 116.8
    dibutyl ether 144.19
    2,6-dimethyl-4-heptanol 36.45
    DEF 128.67
    dimethyl isosorbide 280.49
    tetrachloroethylene 234.62
    eugenol 104.86
    triacetin 234.87
    span 80 95.39
    1,4-butanediol 3.5
    1,1-dichloroethane 164.33
    2-methyl-1-pentanol 27.98
    methyl formate 14.23
    2-methyl-1-butanol 23.03
    n-decane 16.79
    butyronitrile 27.04
    3,7-dimethyl-1-octanol 49.19
    1-chlorooctane 70.42
    1-chlorotetradecane 20.1
    n-nonane 16.03
    undecane 9.36
    tert-butylcyclohexane 26.02
    cyclooctane 28.88
    cyclopentanol 42.32
    tetrahydropyran 169.92
    tert-amyl methyl ether 97.81
    2,5,8-trioxanonane 161.46
    1-hexene 34.14
    2-isopropoxyethanol 35.45
    2,2,2-trifluoroethanol 13.42
    methyl butyrate 152.5

    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