Cetyl Isononanoate

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  • Identifiers

    CAS number
    84878-33-1

    Molecular formula
    C25H50O2

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C

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  • Odor profile

    Fragrance
    Waxy 69.96%
    Fatty 54.84%
    Oily 54.05%
    Floral 32.3%
    Woody 32.16%
    Fruity 28.79%
    Odorless 27.77%
    Balsamic 25.78%
    Creamy 24.41%
    Sweet 24.09%

     

    Flavor
    Waxy 47.67%
    Oily 45.45%
    Mild 42.38%
    Fatty 30.87%
    Bland 30.16%
    Soapy 26.39%
    Floral 25.38%
    Faint 25.35%
    Fat 25.11%
    Delicate 24.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.9

    pKa est.
    7.36 (neutral)

    Molecular weight
    382.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 180.74 ˚C est.

  • Synonyms

    • cetyl isononanoate
    • Hexadecyl isononanoate
    • Z371W2270H
    • Isononanoic acid, hexadecyl ester
    • RefChem:786049
    • 284-424-3
    • 84878-33-1
    • EINECS 284-424-3
    • SCHEMBL13734568
    • UNII-Z371W2270H
    • HJQLXIPVQPEJRY-UHFFFAOYSA-N
    • Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester
    • Q27294936
    • 84878-33-1

  • Applications

    Cetyl isononanoate (CAS 84878-33-1) is a fatty ester used primarily as a lightweight emollient in cosmetics and personal care products, providing slip and moisturization for skin and hair in creams, lotions, and serums. It also commonly acts as a solvent and carrier for fragrances and active ingredients in cosmetic formulations and perfumery, aiding dispersion and solubilization of components. In hair care, it functions as a conditioning agent and improves product glide. It may serve as a fragrance carrier in perfumery and can be used as a processing aid or additive in household cleaning and care products to enhance sensory feel. In certain polymer or coating formulations, it may be employed as a processing aid or plasticizer, with usage depending on the formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 906.23
    methanol 745.05
    isopropanol 953.84
    water 1.05
    ethyl acetate 4068.25
    n-propanol 1140.6
    acetone 2634.07
    n-butanol 1194.09
    acetonitrile 882.03
    DMF 2856.35
    toluene 1657.66
    isobutanol 1209.89
    1,4-dioxane 2875.71
    methyl acetate 2265.52
    THF 6240.07
    2-butanone 2853.83
    n-pentanol 797.56
    sec-butanol 1259.81
    n-hexane 602.13
    ethylene glycol 53.48
    NMP 5700.6
    cyclohexane 2143.6
    DMSO 1896.66
    n-butyl acetate 3551.79
    n-octanol 931.91
    chloroform 6574.6
    n-propyl acetate 3434.81
    acetic acid 1452.54
    dichloromethane 6517.34
    cyclohexanone 7189.29
    propylene glycol 173.32
    isopropyl acetate 3835.29
    DMAc 4259.48
    2-ethoxyethanol 1123.71
    isopentanol 1486.44
    n-heptane 606.11
    ethyl formate 1511.26
    1,2-dichloroethane 4660.65
    n-hexanol 882.88
    2-methoxyethanol 1372.33
    isobutyl acetate 2800.22
    tetrachloromethane 1947.72
    n-pentyl acetate 4447.38
    transcutol 5087.98
    n-heptanol 910.85
    ethylbenzene 978.75
    MIBK 2931.09
    2-propoxyethanol 1478.86
    tert-butanol 1540.05
    MTBE 2924.41
    2-butoxyethanol 1753.46
    propionic acid 1457.86
    o-xylene 1380.22
    formic acid 261.9
    diethyl ether 2513.55
    m-xylene 1320.17
    p-xylene 1547.42
    chlorobenzene 2349.9
    dimethyl carbonate 954.6
    n-octane 264.23
    formamide 491.5
    cyclopentanone 6092.62
    2-pentanone 3304.73
    anisole 1549.61
    cyclopentyl methyl ether 5295.36
    gamma-butyrolactone 5883.83
    1-methoxy-2-propanol 1653.81
    pyridine 2784.61
    3-pentanone 2828.01
    furfural 3067.07
    n-dodecane 119.07
    diethylene glycol 522.02
    diisopropyl ether 1456.0
    tert-amyl alcohol 1868.76
    acetylacetone 3833.97
    n-hexadecane 147.97
    acetophenone 1990.54
    methyl propionate 2840.22
    isopentyl acetate 3866.16
    trichloroethylene 7447.82
    n-nonanol 931.36
    cyclohexanol 2690.76
    benzyl alcohol 886.58
    2-ethylhexanol 1140.8
    isooctanol 1061.59
    dipropyl ether 2278.6
    1,2-dichlorobenzene 2463.38
    ethyl lactate 944.16
    propylene carbonate 3958.48
    n-methylformamide 1203.84
    2-pentanol 1161.66
    n-pentane 494.3
    1-propoxy-2-propanol 1787.55
    1-methoxy-2-propyl acetate 3185.11
    2-(2-methoxypropoxy) propanol 1325.05
    mesitylene 1051.46
    ε-caprolactone 6702.37
    p-cymene 871.04
    epichlorohydrin 5825.92
    1,1,1-trichloroethane 6169.24
    2-aminoethanol 262.23
    morpholine-4-carbaldehyde 4027.08
    sulfolane 7228.01
    2,2,4-trimethylpentane 468.34
    2-methyltetrahydrofuran 5883.48
    n-hexyl acetate 4338.74
    isooctane 282.77
    2-(2-butoxyethoxy)ethanol 1822.66
    sec-butyl acetate 3059.08
    tert-butyl acetate 5024.74
    decalin 691.57
    glycerin 243.03
    diglyme 4158.48
    acrylic acid 832.6
    isopropyl myristate 1368.28
    n-butyric acid 3426.09
    acetyl acetate 2429.26
    di(2-ethylhexyl) phthalate 829.68
    ethyl propionate 2992.13
    nitromethane 2670.49
    1,2-diethoxyethane 2789.01
    benzonitrile 1428.17
    trioctyl phosphate 760.88
    1-bromopropane 3135.32
    gamma-valerolactone 7192.48
    n-decanol 576.45
    triethyl phosphate 1333.35
    4-methyl-2-pentanol 950.72
    propionitrile 1106.0
    vinylene carbonate 2689.84
    1,1,2-trichlorotrifluoroethane 2983.75
    DMS 2247.55
    cumene 768.11
    2-octanol 917.08
    2-hexanone 2662.24
    octyl acetate 1679.78
    limonene 1841.47
    1,2-dimethoxyethane 2622.63
    ethyl orthosilicate 1375.46
    tributyl phosphate 1036.52
    diacetone alcohol 2901.82
    N,N-dimethylaniline 1193.59
    acrylonitrile 988.4
    aniline 1331.58
    1,3-propanediol 585.42
    bromobenzene 2788.87
    dibromomethane 4360.57
    1,1,2,2-tetrachloroethane 6627.36
    2-methyl-cyclohexyl acetate 2457.71
    tetrabutyl urea 1414.93
    diisobutyl methanol 847.08
    2-phenylethanol 929.7
    styrene 1075.36
    dioctyl adipate 1805.81
    dimethyl sulfate 1817.4
    ethyl butyrate 3166.14
    methyl lactate 925.94
    butyl lactate 2213.32
    diethyl carbonate 1665.73
    propanediol butyl ether 1152.78
    triethyl orthoformate 2397.41
    p-tert-butyltoluene 846.3
    methyl 4-tert-butylbenzoate 2321.86
    morpholine 4034.07
    tert-butylamine 1265.04
    n-dodecanol 403.66
    dimethoxymethane 2192.98
    ethylene carbonate 3023.74
    cyrene 1173.8
    2-ethoxyethyl acetate 3634.52
    2-ethylhexyl acetate 3397.17
    1,2,4-trichlorobenzene 2929.76
    4-methylpyridine 3365.81
    dibutyl ether 2423.37
    2,6-dimethyl-4-heptanol 847.08
    DEF 4105.7
    dimethyl isosorbide 2813.45
    tetrachloroethylene 4362.63
    eugenol 1390.02
    triacetin 3550.85
    span 80 1437.06
    1,4-butanediol 227.7
    1,1-dichloroethane 4730.67
    2-methyl-1-pentanol 1040.04
    methyl formate 874.79
    2-methyl-1-butanol 1411.79
    n-decane 307.26
    butyronitrile 1542.66
    3,7-dimethyl-1-octanol 1146.03
    1-chlorooctane 1386.7
    1-chlorotetradecane 386.88
    n-nonane 319.06
    undecane 173.42
    tert-butylcyclohexane 558.54
    cyclooctane 668.47
    cyclopentanol 2252.57
    tetrahydropyran 5546.84
    tert-amyl methyl ether 2849.03
    2,5,8-trioxanonane 2091.48
    1-hexene 1267.3
    2-isopropoxyethanol 1141.85
    2,2,2-trifluoroethanol 659.35
    methyl butyrate 4031.96

    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