2-Ethylhexyl docosanoate

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  • Identifiers

    CAS number
    87891-59-6

    Molecular formula
    C30H60O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.81%
    Fatty 63.41%
    Oily 51.86%
    Odorless 32.48%
    Creamy 24.29%
    Sweet 19.83%
    Dairy 19.8%
    Milky 19.39%
    Fruity 18.1%
    Balsamic 17.44%

     

    Flavor
    Waxy 55.91%
    Mild 42.32%
    Fatty 41.83%
    Oily 38.86%
    Bland 34.23%
    Faint 31.02%
    Fat 30.0%
    Slightly waxy 25.49%
    Soapy 25.36%
    Alkane 24.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    8.35 (weak base)

    Molecular weight
    452.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Flash point

    • 215.8 ˚C est.

  • Synonyms

    • 2-Ethylhexyl docosanoate
    • 87891-59-6
    • EINECS 289-357-3
    • DTXSID501007834
    • RefChem:86985
    • DTXCID201434680
    • 289-357-3
    • SCHEMBL4625908
    • QOQFINCLYXSMAH-UHFFFAOYSA-N
    • NS00066232
    • 87891-59-6

  • Applications

    2-Ethylhexyl docosanoate (CAS 87891-59-6) is a high-molecular-weight, lipophilic ester primarily used as an emollient and skin-conditioning ingredient in cosmetics and personal care. In perfumery it can serve as a carrier for fragrance components or as a slow-evaporating base. It also functions as a plasticizer and lubricant in polymer formulations and coatings, helping to improve texture and processability. As an emollient and conditioning agent, it is used in household cleaners and polishing formulations to enhance slip and spread. It may be used as a solvent/vehicle for topical pharmaceutical and personal care actives. It can play a role as a carrier in industrial applications requiring an oil-rich base to lubricate or soften surfaces.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.76
    methanol 30.52
    isopropanol 41.86
    water 0.27
    ethyl acetate 583.44
    n-propanol 55.63
    acetone 260.44
    n-butanol 75.23
    acetonitrile 98.9
    DMF 326.5
    toluene 233.46
    isobutanol 71.66
    1,4-dioxane 467.05
    methyl acetate 300.82
    THF 1068.27
    2-butanone 401.6
    n-pentanol 64.16
    sec-butanol 90.88
    n-hexane 70.17
    ethylene glycol 3.47
    NMP 1338.81
    cyclohexane 442.44
    DMSO 362.17
    n-butyl acetate 635.63
    n-octanol 151.82
    chloroform 1555.74
    n-propyl acetate 653.65
    acetic acid 127.25
    dichloromethane 1740.35
    cyclohexanone 1569.55
    propylene glycol 10.43
    isopropyl acetate 601.24
    DMAc 865.96
    2-ethoxyethanol 136.45
    isopentanol 121.08
    n-heptane 85.13
    ethyl formate 194.74
    1,2-dichloroethane 1044.21
    n-hexanol 67.57
    2-methoxyethanol 120.84
    isobutyl acetate 449.53
    tetrachloromethane 501.23
    n-pentyl acetate 1205.24
    transcutol 913.11
    n-heptanol 125.81
    ethylbenzene 185.92
    MIBK 481.17
    2-propoxyethanol 155.34
    tert-butanol 102.74
    MTBE 314.75
    2-butoxyethanol 300.41
    propionic acid 148.44
    o-xylene 247.84
    formic acid 22.5
    diethyl ether 254.9
    m-xylene 192.18
    p-xylene 307.44
    chlorobenzene 507.97
    dimethyl carbonate 144.27
    n-octane 50.78
    formamide 54.33
    cyclopentanone 1327.99
    2-pentanone 474.72
    anisole 335.35
    cyclopentyl methyl ether 809.83
    gamma-butyrolactone 1254.65
    1-methoxy-2-propanol 156.65
    pyridine 591.35
    3-pentanone 456.2
    furfural 744.88
    n-dodecane 22.84
    diethylene glycol 47.43
    diisopropyl ether 187.06
    tert-amyl alcohol 179.54
    acetylacetone 715.04
    n-hexadecane 29.14
    acetophenone 513.9
    methyl propionate 382.04
    isopentyl acetate 669.61
    trichloroethylene 1781.43
    n-nonanol 161.16
    cyclohexanol 314.95
    benzyl alcohol 141.8
    2-ethylhexanol 130.17
    isooctanol 158.46
    dipropyl ether 375.61
    1,2-dichlorobenzene 714.55
    ethyl lactate 180.46
    propylene carbonate 809.77
    n-methylformamide 114.65
    2-pentanol 91.28
    n-pentane 46.29
    1-propoxy-2-propanol 231.97
    1-methoxy-2-propyl acetate 548.83
    2-(2-methoxypropoxy) propanol 274.21
    mesitylene 173.39
    ε-caprolactone 1420.03
    p-cymene 176.15
    epichlorohydrin 1177.62
    1,1,1-trichloroethane 1483.34
    2-aminoethanol 14.83
    morpholine-4-carbaldehyde 738.45
    sulfolane 1908.4
    2,2,4-trimethylpentane 61.14
    2-methyltetrahydrofuran 1023.56
    n-hexyl acetate 928.06
    isooctane 30.61
    2-(2-butoxyethoxy)ethanol 341.88
    sec-butyl acetate 583.55
    tert-butyl acetate 812.81
    decalin 134.32
    glycerin 20.69
    diglyme 1054.54
    acrylic acid 98.12
    isopropyl myristate 287.26
    n-butyric acid 384.73
    acetyl acetate 475.74
    di(2-ethylhexyl) phthalate 193.68
    ethyl propionate 606.3
    nitromethane 375.58
    1,2-diethoxyethane 646.24
    benzonitrile 273.69
    trioctyl phosphate 153.56
    1-bromopropane 578.78
    gamma-valerolactone 1583.86
    n-decanol 96.49
    triethyl phosphate 375.06
    4-methyl-2-pentanol 85.71
    propionitrile 130.25
    vinylene carbonate 589.62
    1,1,2-trichlorotrifluoroethane 616.17
    DMS 429.7
    cumene 145.13
    2-octanol 157.93
    2-hexanone 475.59
    octyl acetate 334.83
    limonene 342.19
    1,2-dimethoxyethane 530.17
    ethyl orthosilicate 372.08
    tributyl phosphate 222.45
    diacetone alcohol 465.91
    N,N-dimethylaniline 252.15
    acrylonitrile 125.67
    aniline 186.83
    1,3-propanediol 39.45
    bromobenzene 687.5
    dibromomethane 1044.92
    1,1,2,2-tetrachloroethane 1667.59
    2-methyl-cyclohexyl acetate 584.74
    tetrabutyl urea 344.27
    diisobutyl methanol 132.37
    2-phenylethanol 135.7
    styrene 219.05
    dioctyl adipate 472.57
    dimethyl sulfate 366.52
    ethyl butyrate 716.1
    methyl lactate 122.46
    butyl lactate 500.07
    diethyl carbonate 389.52
    propanediol butyl ether 194.79
    triethyl orthoformate 563.62
    p-tert-butyltoluene 158.76
    methyl 4-tert-butylbenzoate 633.5
    morpholine 524.66
    tert-butylamine 86.32
    n-dodecanol 65.69
    dimethoxymethane 236.28
    ethylene carbonate 584.96
    cyrene 316.02
    2-ethoxyethyl acetate 952.63
    2-ethylhexyl acetate 635.72
    1,2,4-trichlorobenzene 853.32
    4-methylpyridine 621.4
    dibutyl ether 526.11
    2,6-dimethyl-4-heptanol 132.37
    DEF 680.84
    dimethyl isosorbide 779.16
    tetrachloroethylene 1101.31
    eugenol 374.08
    triacetin 864.28
    span 80 300.05
    1,4-butanediol 19.6
    1,1-dichloroethane 828.21
    2-methyl-1-pentanol 106.52
    methyl formate 98.78
    2-methyl-1-butanol 114.99
    n-decane 61.08
    butyronitrile 176.71
    3,7-dimethyl-1-octanol 176.48
    1-chlorooctane 268.62
    1-chlorotetradecane 76.12
    n-nonane 60.54
    undecane 33.94
    tert-butylcyclohexane 84.44
    cyclooctane 119.83
    cyclopentanol 264.12
    tetrahydropyran 831.72
    tert-amyl methyl ether 364.51
    2,5,8-trioxanonane 497.92
    1-hexene 136.53
    2-isopropoxyethanol 152.18
    2,2,2-trifluoroethanol 99.79
    methyl butyrate 823.19

    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