Hexyl docosanoate

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  • Identifiers

    CAS number
    26720-37-6

    Molecular formula
    C28H56O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.81%
    Fatty 67.32%
    Oily 59.31%
    Odorless 32.12%
    Creamy 27.11%
    Sweet 27.04%
    Fruity 23.51%
    Dairy 21.74%
    Clean 19.11%
    Soapy 19.06%

     

    Flavor
    Waxy 64.35%
    Fatty 47.34%
    Mild 43.83%
    Oily 41.65%
    Fat 32.85%
    Bland 31.72%
    Soapy 31.36%
    Coconut 30.86%
    Alkane 30.12%
    Faint 29.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.0

    pKa est.
    8.32 (weak base)

    Molecular weight
    424.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    474°C

    Flash point

    • 212.57 ˚C est.

  • Synonyms

    • Hexyl docosanoate
    • 26720-37-6
    • EINECS 247-942-0
    • Docosanoic acid hexyl ester
    • SCHEMBL4525064
    • DTXSID90181236
    • NS00028179
    • Q63399985
    • 26720-37-6

  • Applications

    Hexyl docosanoate (CAS 26720-37-6) is a high-molecular-weight wax ester commonly used as an emollient and conditioning agent in cosmetics and personal care, providing slip and a soft, non-greasy feel in creams, lotions, lip products and hair care formulations. In perfumery, it may function as a fragrance fixative or carrier in certain formulations. In coatings and inks, it can act as a wax-like additive to improve gloss, texture and water resistance. In polymers and plastics, it is used as a plasticizer or lubricating component in specialty formulations. It also appears in household products such as polishes and cleaners as a smoothing/emollient ingredient. Use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.65
    methanol 11.91
    isopropanol 11.27
    water 0.1
    ethyl acetate 203.75
    n-propanol 17.56
    acetone 91.92
    n-butanol 24.01
    acetonitrile 34.15
    DMF 150.27
    toluene 81.1
    isobutanol 22.75
    1,4-dioxane 182.49
    methyl acetate 112.81
    THF 495.11
    2-butanone 153.27
    n-pentanol 23.91
    sec-butanol 28.68
    n-hexane 27.44
    ethylene glycol 1.53
    NMP 719.2
    cyclohexane 183.68
    DMSO 193.76
    n-butyl acetate 258.02
    n-octanol 66.63
    chloroform 703.27
    n-propyl acetate 266.37
    acetic acid 51.12
    dichloromethane 757.48
    cyclohexanone 685.0
    propylene glycol 4.28
    isopropyl acetate 227.5
    DMAc 434.59
    2-ethoxyethanol 60.76
    isopentanol 40.87
    n-heptane 36.65
    ethyl formate 75.38
    1,2-dichloroethane 448.42
    n-hexanol 26.27
    2-methoxyethanol 52.41
    isobutyl acetate 190.23
    tetrachloromethane 209.71
    n-pentyl acetate 529.22
    transcutol 517.56
    n-heptanol 51.44
    ethylbenzene 74.06
    MIBK 200.75
    2-propoxyethanol 70.42
    tert-butanol 36.88
    MTBE 120.46
    2-butoxyethanol 137.95
    propionic acid 56.56
    o-xylene 96.83
    formic acid 10.58
    diethyl ether 86.76
    m-xylene 73.82
    p-xylene 124.3
    chlorobenzene 200.4
    dimethyl carbonate 59.96
    n-octane 21.93
    formamide 24.64
    cyclopentanone 602.39
    2-pentanone 175.71
    anisole 150.48
    cyclopentyl methyl ether 345.32
    gamma-butyrolactone 555.93
    1-methoxy-2-propanol 66.1
    pyridine 236.09
    3-pentanone 187.11
    furfural 367.73
    n-dodecane 10.52
    diethylene glycol 22.99
    diisopropyl ether 72.84
    tert-amyl alcohol 67.96
    acetylacetone 288.85
    n-hexadecane 13.43
    acetophenone 245.71
    methyl propionate 143.22
    isopentyl acetate 282.52
    trichloroethylene 818.42
    n-nonanol 72.1
    cyclohexanol 115.04
    benzyl alcohol 62.02
    2-ethylhexanol 56.39
    isooctanol 65.9
    dipropyl ether 174.29
    1,2-dichlorobenzene 319.97
    ethyl lactate 85.53
    propylene carbonate 362.65
    n-methylformamide 48.66
    2-pentanol 28.68
    n-pentane 15.44
    1-propoxy-2-propanol 106.15
    1-methoxy-2-propyl acetate 253.69
    2-(2-methoxypropoxy) propanol 158.7
    mesitylene 72.57
    ε-caprolactone 612.27
    p-cymene 81.6
    epichlorohydrin 532.63
    1,1,1-trichloroethane 626.47
    2-aminoethanol 6.08
    morpholine-4-carbaldehyde 367.23
    sulfolane 1051.76
    2,2,4-trimethylpentane 26.14
    2-methyltetrahydrofuran 430.47
    n-hexyl acetate 429.35
    isooctane 12.93
    2-(2-butoxyethoxy)ethanol 186.24
    sec-butyl acetate 241.37
    tert-butyl acetate 362.19
    decalin 60.24
    glycerin 10.36
    diglyme 557.8
    acrylic acid 41.16
    isopropyl myristate 139.12
    n-butyric acid 139.19
    acetyl acetate 179.58
    di(2-ethylhexyl) phthalate 98.54
    ethyl propionate 249.78
    nitromethane 157.78
    1,2-diethoxyethane 313.64
    benzonitrile 113.78
    trioctyl phosphate 74.48
    1-bromopropane 226.34
    gamma-valerolactone 728.45
    n-decanol 43.93
    triethyl phosphate 202.33
    4-methyl-2-pentanol 31.22
    propionitrile 47.08
    vinylene carbonate 267.26
    1,1,2-trichlorotrifluoroethane 327.09
    DMS 196.14
    cumene 62.89
    2-octanol 64.42
    2-hexanone 201.84
    octyl acetate 160.09
    limonene 157.21
    1,2-dimethoxyethane 257.04
    ethyl orthosilicate 200.28
    tributyl phosphate 113.54
    diacetone alcohol 217.85
    N,N-dimethylaniline 124.22
    acrylonitrile 48.98
    aniline 71.15
    1,3-propanediol 14.43
    bromobenzene 276.12
    dibromomethane 446.83
    1,1,2,2-tetrachloroethane 814.12
    2-methyl-cyclohexyl acetate 299.72
    tetrabutyl urea 187.49
    diisobutyl methanol 61.93
    2-phenylethanol 60.59
    styrene 86.27
    dioctyl adipate 245.18
    dimethyl sulfate 179.66
    ethyl butyrate 331.97
    methyl lactate 55.14
    butyl lactate 243.64
    diethyl carbonate 186.57
    propanediol butyl ether 95.67
    triethyl orthoformate 284.94
    p-tert-butyltoluene 74.1
    methyl 4-tert-butylbenzoate 331.55
    morpholine 217.37
    tert-butylamine 32.05
    n-dodecanol 30.96
    dimethoxymethane 103.63
    ethylene carbonate 246.55
    cyrene 184.49
    2-ethoxyethyl acetate 444.34
    2-ethylhexyl acetate 271.75
    1,2,4-trichlorobenzene 390.25
    4-methylpyridine 236.45
    dibutyl ether 251.24
    2,6-dimethyl-4-heptanol 61.93
    DEF 293.88
    dimethyl isosorbide 464.22
    tetrachloroethylene 511.5
    eugenol 204.04
    triacetin 466.18
    span 80 163.83
    1,4-butanediol 7.98
    1,1-dichloroethane 322.33
    2-methyl-1-pentanol 42.89
    methyl formate 41.87
    2-methyl-1-butanol 40.27
    n-decane 27.88
    butyronitrile 59.41
    3,7-dimethyl-1-octanol 80.62
    1-chlorooctane 125.25
    1-chlorotetradecane 35.73
    n-nonane 27.62
    undecane 15.63
    tert-butylcyclohexane 38.44
    cyclooctane 48.89
    cyclopentanol 101.12
    tetrahydropyran 324.5
    tert-amyl methyl ether 159.19
    2,5,8-trioxanonane 290.13
    1-hexene 50.86
    2-isopropoxyethanol 66.57
    2,2,2-trifluoroethanol 42.82
    methyl butyrate 349.0

    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