Octyl docosanoate

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  • Identifiers

    CAS number
    5979-98-6

    Molecular formula
    C30H60O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.55%
    Fatty 65.4%
    Oily 56.37%
    Odorless 32.39%
    Sweet 25.25%
    Creamy 24.75%
    Fruity 19.96%
    Dairy 19.85%
    Clean 18.48%
    Soapy 17.23%

     

    Flavor
    Waxy 63.03%
    Fatty 44.85%
    Mild 42.9%
    Oily 38.84%
    Bland 32.45%
    Alkane 31.82%
    Fat 31.28%
    Faint 29.56%
    Soapy 28.68%
    Coconut 28.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.1

    pKa est.
    8.57 (weak base)

    Molecular weight
    452.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    500°C

    Flash point

    • 224.56 ˚C est.

  • Synonyms

    • Octyl docosanoate
    • 5979-98-6
    • EINECS 227-788-0
    • SCHEMBL542304
    • Docosanoic acid, n.-octyl ester
    • DTXSID40208523
    • NS00034239
    • 5979-98-6

  • Applications

    Octyl docosanoate (CAS 5979-98-6) is a long-chain fatty ester that is primarily used as an emollient in cosmetics and personal care, delivering slip and a soft, smooth feel in moisturizers, creams, and hair-care products. It is commonly used as a carrier oil and fragrance solvent for fragrance oils in perfumery and related applications. In coatings, inks, and adhesives, the ester acts as a plasticizer and slip agent, improving flexibility and handling of formulations. In polymer processing, octyl docosanoate can function as a processing aid and lubricant to reduce friction during manufacturing. As a conditioning ingredient in household and cleaning products, it helps impart a soft feel to surfaces after use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.96
    methanol 9.53
    isopropanol 8.55
    water 0.09
    ethyl acetate 167.89
    n-propanol 14.19
    acetone 74.54
    n-butanol 18.87
    acetonitrile 26.88
    DMF 121.35
    toluene 68.98
    isobutanol 17.87
    1,4-dioxane 150.83
    methyl acetate 93.6
    THF 405.52
    2-butanone 128.16
    n-pentanol 19.77
    sec-butanol 22.81
    n-hexane 22.95
    ethylene glycol 1.26
    NMP 625.86
    cyclohexane 148.45
    DMSO 159.43
    n-butyl acetate 211.75
    n-octanol 55.84
    chloroform 608.3
    n-propyl acetate 221.19
    acetic acid 42.21
    dichloromethane 646.66
    cyclohexanone 578.27
    propylene glycol 3.53
    isopropyl acetate 187.22
    DMAc 368.82
    2-ethoxyethanol 50.34
    isopentanol 31.85
    n-heptane 30.73
    ethyl formate 62.91
    1,2-dichloroethane 370.84
    n-hexanol 21.32
    2-methoxyethanol 42.21
    isobutyl acetate 156.37
    tetrachloromethane 181.26
    n-pentyl acetate 446.46
    transcutol 438.4
    n-heptanol 43.59
    ethylbenzene 63.84
    MIBK 162.55
    2-propoxyethanol 57.57
    tert-butanol 27.71
    MTBE 98.31
    2-butoxyethanol 117.27
    propionic acid 46.84
    o-xylene 83.26
    formic acid 9.08
    diethyl ether 68.85
    m-xylene 61.91
    p-xylene 105.22
    chlorobenzene 167.56
    dimethyl carbonate 51.99
    n-octane 18.46
    formamide 20.36
    cyclopentanone 505.6
    2-pentanone 142.43
    anisole 126.61
    cyclopentyl methyl ether 286.99
    gamma-butyrolactone 472.57
    1-methoxy-2-propanol 53.49
    pyridine 198.15
    3-pentanone 156.44
    furfural 316.79
    n-dodecane 8.82
    diethylene glycol 18.95
    diisopropyl ether 58.94
    tert-amyl alcohol 55.09
    acetylacetone 242.31
    n-hexadecane 11.23
    acetophenone 210.38
    methyl propionate 120.55
    isopentyl acetate 235.89
    trichloroethylene 698.47
    n-nonanol 61.52
    cyclohexanol 91.97
    benzyl alcohol 52.13
    2-ethylhexanol 46.77
    isooctanol 55.98
    dipropyl ether 145.43
    1,2-dichlorobenzene 271.3
    ethyl lactate 72.85
    propylene carbonate 313.51
    n-methylformamide 40.06
    2-pentanol 22.49
    n-pentane 12.58
    1-propoxy-2-propanol 88.31
    1-methoxy-2-propyl acetate 212.58
    2-(2-methoxypropoxy) propanol 138.95
    mesitylene 60.74
    ε-caprolactone 523.16
    p-cymene 70.98
    epichlorohydrin 451.16
    1,1,1-trichloroethane 523.49
    2-aminoethanol 5.04
    morpholine-4-carbaldehyde 305.85
    sulfolane 916.26
    2,2,4-trimethylpentane 22.48
    2-methyltetrahydrofuran 358.42
    n-hexyl acetate 367.98
    isooctane 10.67
    2-(2-butoxyethoxy)ethanol 158.5
    sec-butyl acetate 199.77
    tert-butyl acetate 299.94
    decalin 50.54
    glycerin 8.71
    diglyme 480.34
    acrylic acid 34.86
    isopropyl myristate 117.71
    n-butyric acid 114.51
    acetyl acetate 151.05
    di(2-ethylhexyl) phthalate 85.74
    ethyl propionate 211.32
    nitromethane 130.61
    1,2-diethoxyethane 261.96
    benzonitrile 94.27
    trioctyl phosphate 63.4
    1-bromopropane 187.28
    gamma-valerolactone 618.31
    n-decanol 37.23
    triethyl phosphate 178.3
    4-methyl-2-pentanol 24.76
    propionitrile 38.09
    vinylene carbonate 229.88
    1,1,2-trichlorotrifluoroethane 288.33
    DMS 166.98
    cumene 53.73
    2-octanol 54.04
    2-hexanone 168.69
    octyl acetate 135.58
    limonene 133.51
    1,2-dimethoxyethane 210.12
    ethyl orthosilicate 175.42
    tributyl phosphate 96.7
    diacetone alcohol 180.4
    N,N-dimethylaniline 107.55
    acrylonitrile 40.01
    aniline 58.47
    1,3-propanediol 11.58
    bromobenzene 234.82
    dibromomethane 378.74
    1,1,2,2-tetrachloroethane 701.08
    2-methyl-cyclohexyl acetate 261.36
    tetrabutyl urea 158.27
    diisobutyl methanol 51.05
    2-phenylethanol 50.84
    styrene 73.42
    dioctyl adipate 211.35
    dimethyl sulfate 160.29
    ethyl butyrate 280.45
    methyl lactate 47.42
    butyl lactate 212.18
    diethyl carbonate 159.59
    propanediol butyl ether 81.21
    triethyl orthoformate 249.81
    p-tert-butyltoluene 64.05
    methyl 4-tert-butylbenzoate 293.66
    morpholine 177.13
    tert-butylamine 24.39
    n-dodecanol 25.85
    dimethoxymethane 84.34
    ethylene carbonate 210.71
    cyrene 163.92
    2-ethoxyethyl acetate 382.49
    2-ethylhexyl acetate 229.67
    1,2,4-trichlorobenzene 336.97
    4-methylpyridine 194.78
    dibutyl ether 210.22
    2,6-dimethyl-4-heptanol 51.05
    DEF 240.23
    dimethyl isosorbide 408.6
    tetrachloroethylene 436.11
    eugenol 180.2
    triacetin 408.84
    span 80 142.68
    1,4-butanediol 6.62
    1,1-dichloroethane 265.42
    2-methyl-1-pentanol 35.3
    methyl formate 35.28
    2-methyl-1-butanol 32.21
    n-decane 23.58
    butyronitrile 47.45
    3,7-dimethyl-1-octanol 68.35
    1-chlorooctane 106.32
    1-chlorotetradecane 29.81
    n-nonane 23.35
    undecane 13.2
    tert-butylcyclohexane 32.5
    cyclooctane 41.31
    cyclopentanol 80.26
    tetrahydropyran 267.86
    tert-amyl methyl ether 133.6
    2,5,8-trioxanonane 250.04
    1-hexene 41.99
    2-isopropoxyethanol 54.6
    2,2,2-trifluoroethanol 36.37
    methyl butyrate 291.74

    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