Octacosyl triacontanoate

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  • Identifiers

    CAS number
    87538-97-4

    Molecular formula
    C58H116O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.46%
    Fatty 53.52%
    Oily 40.48%
    Odorless 31.4%
    Fishy 16.06%
    Sweet 14.38%
    Savory 13.58%
    Creamy 13.51%
    Meaty 12.19%
    Balsamic 12.11%

     

    Flavor
    Waxy 55.21%
    Alkane 42.46%
    Mild 33.85%
    Bland 33.0%
    Fatty 25.38%
    Faint 25.06%
    Slightly waxy 22.84%
    Delicate 20.92%
    Oily 20.6%
    Bay oil 20.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    29.3

    pKa est.
    14.19 (strong base)

    Molecular weight
    845.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    697°C

    Melting point expt.

    • 70 °C

    Flash point

    • 372.06 ˚C est.

  • Synonyms

    • Octacosyl triacontanoate
    • 87538-97-4
    • RefChem:167566
    • Octacosyl triacontanoic acid
    • octacosanyl triacontanoate
    • SCHEMBL30229894
    • CHEBI:184355
    • DTXSID701312940
    • 87538-97-4

  • Applications

    Octacosyl triacontanoate (CAS 87538-97-4) is a long-chain wax ester used primarily as an emollient and texture-enhancing ingredient in cosmetics and personal care, providing a smooth feel on the skin and contributing to formulation stability. It is also employed as a wax component in coatings and polishing formulations to improve gloss, hardness, and water resistance. In polymer and plastics processing, it often serves as a lubricant and processing aid to enhance slip and flow during molding or extrusion. Additionally, it is used in household products and polishes as a wax thickener/structuring agent to help form durable finishes. In industrial manufacturing, octacosyl triacontanoate may act as a lubricant or release agent in processing and application of wax-containing coatings and products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.62
    methanol 5.33
    isopropanol 5.1
    water 0.11
    ethyl acetate 98.2
    n-propanol 9.36
    acetone 42.12
    n-butanol 10.76
    acetonitrile 13.49
    DMF 75.41
    toluene 51.53
    isobutanol 10.16
    1,4-dioxane 92.48
    methyl acetate 56.4
    THF 247.19
    2-butanone 78.16
    n-pentanol 12.42
    sec-butanol 12.86
    n-hexane 13.96
    ethylene glycol 0.85
    NMP 421.23
    cyclohexane 60.89
    DMSO 87.92
    n-butyl acetate 118.14
    n-octanol 31.61
    chloroform 386.08
    n-propyl acetate 111.25
    acetic acid 28.81
    dichloromethane 369.21
    cyclohexanone 318.33
    propylene glycol 2.4
    isopropyl acetate 103.49
    DMAc 245.32
    2-ethoxyethanol 29.83
    isopentanol 14.9
    n-heptane 18.98
    ethyl formate 40.68
    1,2-dichloroethane 198.64
    n-hexanol 12.91
    2-methoxyethanol 24.82
    isobutyl acetate 80.11
    tetrachloromethane 108.07
    n-pentyl acetate 233.16
    transcutol 228.02
    n-heptanol 25.44
    ethylbenzene 44.07
    MIBK 77.93
    2-propoxyethanol 36.5
    tert-butanol 11.98
    MTBE 51.91
    2-butoxyethanol 71.1
    propionic acid 29.0
    o-xylene 56.04
    formic acid 6.72
    diethyl ether 37.3
    m-xylene 43.28
    p-xylene 63.64
    chlorobenzene 111.07
    dimethyl carbonate 44.46
    n-octane 11.42
    formamide 13.0
    cyclopentanone 310.46
    2-pentanone 78.69
    anisole 74.82
    cyclopentyl methyl ether 176.3
    gamma-butyrolactone 327.11
    1-methoxy-2-propanol 31.62
    pyridine 136.23
    3-pentanone 97.23
    furfural 220.11
    n-dodecane 5.4
    diethylene glycol 11.71
    diisopropyl ether 31.8
    tert-amyl alcohol 28.06
    acetylacetone 152.01
    n-hexadecane 6.75
    acetophenone 123.53
    methyl propionate 80.25
    isopentyl acetate 129.76
    trichloroethylene 410.88
    n-nonanol 37.45
    cyclohexanol 45.98
    benzyl alcohol 31.31
    2-ethylhexanol 27.2
    isooctanol 32.67
    dipropyl ether 82.68
    1,2-dichlorobenzene 161.54
    ethyl lactate 47.03
    propylene carbonate 212.75
    n-methylformamide 26.82
    2-pentanol 12.68
    n-pentane 7.85
    1-propoxy-2-propanol 54.07
    1-methoxy-2-propyl acetate 133.24
    2-(2-methoxypropoxy) propanol 87.35
    mesitylene 39.04
    ε-caprolactone 340.46
    p-cymene 45.48
    epichlorohydrin 290.16
    1,1,1-trichloroethane 301.84
    2-aminoethanol 3.37
    morpholine-4-carbaldehyde 191.65
    sulfolane 611.75
    2,2,4-trimethylpentane 14.08
    2-methyltetrahydrofuran 211.14
    n-hexyl acetate 200.49
    isooctane 6.17
    2-(2-butoxyethoxy)ethanol 94.32
    sec-butyl acetate 112.34
    tert-butyl acetate 165.74
    decalin 28.82
    glycerin 5.82
    diglyme 272.29
    acrylic acid 23.02
    isopropyl myristate 66.41
    n-butyric acid 65.66
    acetyl acetate 97.16
    di(2-ethylhexyl) phthalate 55.13
    ethyl propionate 120.44
    nitromethane 80.63
    1,2-diethoxyethane 142.71
    benzonitrile 55.69
    trioctyl phosphate 39.07
    1-bromopropane 105.51
    gamma-valerolactone 392.93
    n-decanol 22.25
    triethyl phosphate 119.82
    4-methyl-2-pentanol 13.22
    propionitrile 21.39
    vinylene carbonate 167.86
    1,1,2-trichlorotrifluoroethane 201.67
    DMS 115.91
    cumene 34.39
    2-octanol 29.95
    2-hexanone 93.72
    octyl acetate 76.17
    limonene 82.06
    1,2-dimethoxyethane 109.37
    ethyl orthosilicate 114.03
    tributyl phosphate 58.93
    diacetone alcohol 92.54
    N,N-dimethylaniline 70.0
    acrylonitrile 22.62
    aniline 37.46
    1,3-propanediol 6.89
    bromobenzene 154.08
    dibromomethane 215.89
    1,1,2,2-tetrachloroethane 430.27
    2-methyl-cyclohexyl acetate 159.61
    tetrabutyl urea 91.64
    diisobutyl methanol 26.9
    2-phenylethanol 31.22
    styrene 46.89
    dioctyl adipate 118.37
    dimethyl sulfate 134.75
    ethyl butyrate 162.36
    methyl lactate 36.25
    butyl lactate 127.45
    diethyl carbonate 97.02
    propanediol butyl ether 46.86
    triethyl orthoformate 161.96
    p-tert-butyltoluene 42.47
    methyl 4-tert-butylbenzoate 187.15
    morpholine 103.82
    tert-butylamine 10.81
    n-dodecanol 14.87
    dimethoxymethane 55.64
    ethylene carbonate 150.12
    cyrene 108.27
    2-ethoxyethyl acetate 235.88
    2-ethylhexyl acetate 134.55
    1,2,4-trichlorobenzene 216.9
    4-methylpyridine 122.67
    dibutyl ether 111.97
    2,6-dimethyl-4-heptanol 26.9
    DEF 133.97
    dimethyl isosorbide 268.97
    tetrachloroethylene 254.67
    eugenol 108.4
    triacetin 253.33
    span 80 81.88
    1,4-butanediol 4.12
    1,1-dichloroethane 151.17
    2-methyl-1-pentanol 20.27
    methyl formate 25.93
    2-methyl-1-butanol 17.86
    n-decane 14.24
    butyronitrile 24.41
    3,7-dimethyl-1-octanol 38.69
    1-chlorooctane 59.25
    1-chlorotetradecane 16.65
    n-nonane 13.72
    undecane 7.98
    tert-butylcyclohexane 19.15
    cyclooctane 23.96
    cyclopentanol 43.55
    tetrahydropyran 149.99
    tert-amyl methyl ether 79.2
    2,5,8-trioxanonane 144.11
    1-hexene 26.31
    2-isopropoxyethanol 30.39
    2,2,2-trifluoroethanol 24.79
    methyl butyrate 154.1

    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