Isocetyl Isodecanoate

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  • Identifiers

    CAS number
    129588-05-2

    Molecular formula
    C26H52O2

    SMILES
    CC(C)CCCCCCCCCCCCCOC(=O)CCCCCCC(C)C

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  • Odor profile

    Fragrance
    Waxy 72.36%
    Fatty 51.54%
    Oily 51.06%
    Odorless 32.51%
    Woody 26.46%
    Balsamic 25.67%
    Sweet 25.56%
    Floral 24.36%
    Fruity 22.48%
    Creamy 22.31%

     

    Flavor
    Waxy 48.46%
    Oily 42.76%
    Mild 39.48%
    Fatty 36.15%
    Bland 33.42%
    Faint 30.19%
    Fat 28.63%
    Soapy 25.86%
    Slightly waxy 25.14%
    Delicate 24.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.4

    pKa est.
    8.09 (weak base)

    Molecular weight
    396.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    427°C

    Flash point

    • 191.32 ˚C est.

  • Synonyms

    • Isocetyl Isodecanoate
    • RefChem:791690
    • 129588-05-2
    • Isodecanoic acid, isohexadecyl ester
    • SCHEMBL5873242
    • DTXSID501021690
    • 129588-05-2

  • Applications

    Isocetyl Isodecanoate (CAS 129588-05-2) is an ester of isocetyl alcohol and isodecanoic acid, commonly used in perfumery as a fragrance ingredient and fixative. In cosmetics and personal care, it functions as an emollient and skin-conditioning ester, providing slip and improving texture in lotions, creams, and color cosmetics. It also serves as a solvent/carrier in household and industrial cleaning products and air fresheners, helping dissolve and deliver fragrance components. In some formulations, it may act as a processing aid or lubricant in coatings and inks. Overall, its use is primarily as a fragrance ingredient and emollient, with potential applicability as a solvent or processing aid, depending on formulation requirements and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.5
    methanol 23.65
    isopropanol 35.58
    water 0.05
    ethyl acetate 330.01
    n-propanol 44.35
    acetone 159.77
    n-butanol 65.44
    acetonitrile 50.06
    DMF 190.01
    toluene 141.24
    isobutanol 57.76
    1,4-dioxane 289.82
    methyl acetate 168.45
    THF 781.66
    2-butanone 256.67
    n-pentanol 55.82
    sec-butanol 73.6
    n-hexane 45.55
    ethylene glycol 1.86
    NMP 722.47
    cyclohexane 239.69
    DMSO 225.83
    n-butyl acetate 435.18
    n-octanol 116.79
    chloroform 948.39
    n-propyl acetate 416.96
    acetic acid 78.59
    dichloromethane 931.57
    cyclohexanone 946.1
    propylene glycol 7.77
    isopropyl acetate 382.68
    DMAc 528.29
    2-ethoxyethanol 119.28
    isopentanol 106.49
    n-heptane 51.62
    ethyl formate 115.48
    1,2-dichloroethane 592.13
    n-hexanol 63.56
    2-methoxyethanol 99.12
    isobutyl acetate 325.65
    tetrachloromethane 269.11
    n-pentyl acetate 764.32
    transcutol 956.85
    n-heptanol 96.98
    ethylbenzene 121.72
    MIBK 365.79
    2-propoxyethanol 150.07
    tert-butanol 95.12
    MTBE 262.48
    2-butoxyethanol 243.27
    propionic acid 84.09
    o-xylene 153.66
    formic acid 12.11
    diethyl ether 175.27
    m-xylene 124.79
    p-xylene 189.05
    chlorobenzene 286.03
    dimethyl carbonate 64.93
    n-octane 28.44
    formamide 26.92
    cyclopentanone 795.56
    2-pentanone 320.17
    anisole 238.12
    cyclopentyl methyl ether 528.53
    gamma-butyrolactone 661.21
    1-methoxy-2-propanol 138.72
    pyridine 317.1
    3-pentanone 275.74
    furfural 427.93
    n-dodecane 13.49
    diethylene glycol 43.09
    diisopropyl ether 134.52
    tert-amyl alcohol 156.41
    acetylacetone 425.84
    n-hexadecane 17.31
    acetophenone 335.72
    methyl propionate 210.8
    isopentyl acetate 500.36
    trichloroethylene 1037.88
    n-nonanol 124.86
    cyclohexanol 220.53
    benzyl alcohol 109.32
    2-ethylhexanol 111.43
    isooctanol 129.09
    dipropyl ether 280.85
    1,2-dichlorobenzene 398.22
    ethyl lactate 122.75
    propylene carbonate 442.52
    n-methylformamide 61.65
    2-pentanol 72.61
    n-pentane 26.91
    1-propoxy-2-propanol 214.89
    1-methoxy-2-propyl acetate 424.59
    2-(2-methoxypropoxy) propanol 250.02
    mesitylene 114.18
    ε-caprolactone 861.58
    p-cymene 120.38
    epichlorohydrin 749.86
    1,1,1-trichloroethane 869.23
    2-aminoethanol 10.17
    morpholine-4-carbaldehyde 467.42
    sulfolane 1132.32
    2,2,4-trimethylpentane 43.48
    2-methyltetrahydrofuran 681.81
    n-hexyl acetate 639.95
    isooctane 23.42
    2-(2-butoxyethoxy)ethanol 329.7
    sec-butyl acetate 410.97
    tert-butyl acetate 595.73
    decalin 84.02
    glycerin 15.14
    diglyme 866.05
    acrylic acid 50.53
    isopropyl myristate 203.6
    n-butyric acid 260.8
    acetyl acetate 238.81
    di(2-ethylhexyl) phthalate 138.32
    ethyl propionate 365.21
    nitromethane 205.24
    1,2-diethoxyethane 507.3
    benzonitrile 161.69
    trioctyl phosphate 105.41
    1-bromopropane 349.42
    gamma-valerolactone 1001.85
    n-decanol 74.65
    triethyl phosphate 242.71
    4-methyl-2-pentanol 77.17
    propionitrile 72.72
    vinylene carbonate 312.33
    1,1,2-trichlorotrifluoroethane 409.87
    DMS 252.6
    cumene 98.53
    2-octanol 116.18
    2-hexanone 357.78
    octyl acetate 232.39
    limonene 243.05
    1,2-dimethoxyethane 422.27
    ethyl orthosilicate 251.22
    tributyl phosphate 151.91
    diacetone alcohol 388.4
    N,N-dimethylaniline 181.13
    acrylonitrile 65.24
    aniline 116.37
    1,3-propanediol 30.46
    bromobenzene 372.24
    dibromomethane 590.05
    1,1,2,2-tetrachloroethane 1044.92
    2-methyl-cyclohexyl acetate 434.93
    tetrabutyl urea 230.41
    diisobutyl methanol 108.22
    2-phenylethanol 114.54
    styrene 131.67
    dioctyl adipate 327.67
    dimethyl sulfate 180.8
    ethyl butyrate 474.4
    methyl lactate 76.03
    butyl lactate 355.8
    diethyl carbonate 235.56
    propanediol butyl ether 175.71
    triethyl orthoformate 393.78
    p-tert-butyltoluene 114.57
    methyl 4-tert-butylbenzoate 437.55
    morpholine 375.37
    tert-butylamine 78.66
    n-dodecanol 49.73
    dimethoxymethane 157.08
    ethylene carbonate 302.98
    cyrene 248.1
    2-ethoxyethyl acetate 653.76
    2-ethylhexyl acetate 446.9
    1,2,4-trichlorobenzene 479.35
    4-methylpyridine 367.13
    dibutyl ether 397.14
    2,6-dimethyl-4-heptanol 108.22
    DEF 411.18
    dimethyl isosorbide 645.09
    tetrachloroethylene 631.83
    eugenol 273.79
    triacetin 606.45
    span 80 258.76
    1,4-butanediol 14.53
    1,1-dichloroethane 517.12
    2-methyl-1-pentanol 97.57
    methyl formate 50.73
    2-methyl-1-butanol 98.19
    n-decane 38.0
    butyronitrile 112.13
    3,7-dimethyl-1-octanol 149.39
    1-chlorooctane 181.26
    1-chlorotetradecane 49.26
    n-nonane 37.43
    undecane 20.61
    tert-butylcyclohexane 60.49
    cyclooctane 64.68
    cyclopentanol 177.04
    tetrahydropyran 562.58
    tert-amyl methyl ether 295.47
    2,5,8-trioxanonane 425.89
    1-hexene 97.52
    2-isopropoxyethanol 138.08
    2,2,2-trifluoroethanol 48.02
    methyl butyrate 504.14

    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