Sorbitan, dioctadecanoate

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  • Identifiers

    CAS number
    36521-89-8

    Molecular formula
    C42H80O7

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](COC1[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 70.64%
    Fatty 57.66%
    Oily 43.04%
    Odorless 39.65%
    Creamy 22.08%
    Milky 19.48%
    Sweet 18.3%
    Buttery 18.04%
    Dairy 17.74%
    Savory 17.39%

     

    Flavor
    Waxy 45.37%
    Fatty 43.81%
    Mild 40.99%
    Bland 40.85%
    Oily 34.98%
    Odorless 31.62%
    Faint 30.52%
    Fat 24.27%
    Slightly waxy 24.24%
    Bay oil 22.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.3

    pKa est.
    4.73 (weak acid)

    Molecular weight
    697.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    958°C

    Flash point

    • 236.65 ˚C est.

  • Synonyms

    • Sorbitan, dioctadecanoate
    • 36521-89-8
    • DTXSID501014912
    • RefChem:184433
    • DTXCID201473250
    • Sorbitan distearate
    • [(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]oxolan-3-yl] octadecanoate
    • (4xi)-1,4-anhydro-3,5-di-o-octadecanoyl-d-xylo-hexitol
    • Sorbitan dioctadecanoate
    • Anhydrosorbitol distearate
    • EINECS 253-084-8
    • AI3-00978
    • UNII-CBG7F2IO1Y
    • SCHEMBL29369647
    • CFSBKZAGHNEMSD-MCEKWJMISA-N
    • 36521-89-8

  • Applications

    Sorbitan, dioctadecanoate is a nonionic surfactant and emulsifier used widely in cosmetics and personal-care formulations to stabilize oil-in-water and water-in-oil emulsions; it also serves as an emulsifier and processing aid in household cleaning products and other industrial cleaners; in coatings, paints and inks it functions as a wetting and dispersing agent to improve pigment dispersion and film formation; in polymer and plastics formulations it acts as a processing aid to improve compatibility and lubrication; and it may be encountered as a specialty additive in certain industrial manufacturing applications where stable emulsions or controlled dispersion are needed, subject to local regulations and formulation limits. CAS 36521-89-8.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.05
    methanol 27.8
    isopropanol 21.64
    water 1.94
    ethyl acetate 209.62
    n-propanol 33.5
    acetone 150.76
    n-butanol 30.73
    acetonitrile 60.49
    DMF 296.27
    toluene 65.04
    isobutanol 28.82
    1,4-dioxane 149.29
    methyl acetate 176.3
    THF 363.5
    2-butanone 180.46
    n-pentanol 32.11
    sec-butanol 40.27
    n-hexane 8.44
    ethylene glycol 7.13
    NMP 920.49
    cyclohexane 24.1
    DMSO 357.27
    n-butyl acetate 125.05
    n-octanol 43.69
    chloroform 402.17
    n-propyl acetate 160.14
    acetic acid 205.38
    dichloromethane 429.79
    cyclohexanone 405.75
    propylene glycol 14.57
    isopropyl acetate 175.78
    DMAc 739.56
    2-ethoxyethanol 93.82
    isopentanol 32.6
    n-heptane 8.28
    ethyl formate 116.66
    1,2-dichloroethane 240.67
    n-hexanol 25.35
    2-methoxyethanol 91.9
    isobutyl acetate 92.08
    tetrachloromethane 104.25
    n-pentyl acetate 233.94
    transcutol 333.31
    n-heptanol 39.11
    ethylbenzene 42.56
    MIBK 106.87
    2-propoxyethanol 81.84
    tert-butanol 35.92
    MTBE 73.13
    2-butoxyethanol 124.45
    propionic acid 137.9
    o-xylene 70.04
    formic acid 62.72
    diethyl ether 62.13
    m-xylene 49.54
    p-xylene 60.06
    chlorobenzene 127.98
    dimethyl carbonate 158.12
    n-octane 6.3
    formamide 106.48
    cyclopentanone 494.55
    2-pentanone 158.56
    anisole 86.61
    cyclopentyl methyl ether 198.12
    gamma-butyrolactone 703.36
    1-methoxy-2-propanol 98.15
    pyridine 207.01
    3-pentanone 178.38
    furfural 443.03
    n-dodecane 3.83
    diethylene glycol 40.58
    diisopropyl ether 34.11
    tert-amyl alcohol 61.12
    acetylacetone 304.5
    n-hexadecane 4.55
    acetophenone 168.66
    methyl propionate 218.82
    isopentyl acetate 120.81
    trichloroethylene 562.98
    n-nonanol 45.38
    cyclohexanol 77.13
    benzyl alcohol 63.46
    2-ethylhexanol 29.51
    isooctanol 38.57
    dipropyl ether 56.85
    1,2-dichlorobenzene 170.92
    ethyl lactate 103.23
    propylene carbonate 432.3
    n-methylformamide 137.08
    2-pentanol 32.93
    n-pentane 6.61
    1-propoxy-2-propanol 88.13
    1-methoxy-2-propyl acetate 171.99
    2-(2-methoxypropoxy) propanol 112.66
    mesitylene 34.88
    ε-caprolactone 481.21
    p-cymene 32.85
    epichlorohydrin 461.75
    1,1,1-trichloroethane 348.44
    2-aminoethanol 19.37
    morpholine-4-carbaldehyde 456.15
    sulfolane 1091.25
    2,2,4-trimethylpentane 9.28
    2-methyltetrahydrofuran 266.67
    n-hexyl acetate 205.48
    isooctane 3.76
    2-(2-butoxyethoxy)ethanol 137.91
    sec-butyl acetate 130.86
    tert-butyl acetate 192.58
    decalin 14.65
    glycerin 30.78
    diglyme 320.67
    acrylic acid 136.35
    isopropyl myristate 58.84
    n-butyric acid 200.07
    acetyl acetate 226.07
    di(2-ethylhexyl) phthalate 65.52
    ethyl propionate 177.01
    nitromethane 426.17
    1,2-diethoxyethane 130.97
    benzonitrile 88.34
    trioctyl phosphate 48.51
    1-bromopropane 106.15
    gamma-valerolactone 662.64
    n-decanol 27.29
    triethyl phosphate 109.08
    4-methyl-2-pentanol 22.85
    propionitrile 59.53
    vinylene carbonate 362.36
    1,1,2-trichlorotrifluoroethane 415.11
    DMS 189.32
    cumene 31.88
    2-octanol 36.76
    2-hexanone 124.16
    octyl acetate 86.55
    limonene 53.9
    1,2-dimethoxyethane 162.29
    ethyl orthosilicate 94.11
    tributyl phosphate 66.65
    diacetone alcohol 162.97
    N,N-dimethylaniline 76.43
    acrylonitrile 82.44
    aniline 75.97
    1,3-propanediol 31.82
    bromobenzene 147.0
    dibromomethane 233.94
    1,1,2,2-tetrachloroethane 484.34
    2-methyl-cyclohexyl acetate 118.08
    tetrabutyl urea 94.71
    diisobutyl methanol 20.27
    2-phenylethanol 49.64
    styrene 48.24
    dioctyl adipate 116.14
    dimethyl sulfate 428.49
    ethyl butyrate 135.8
    methyl lactate 138.19
    butyl lactate 169.32
    diethyl carbonate 96.93
    propanediol butyl ether 93.92
    triethyl orthoformate 118.43
    p-tert-butyltoluene 31.54
    methyl 4-tert-butylbenzoate 211.18
    morpholine 191.22
    tert-butylamine 21.77
    n-dodecanol 18.19
    dimethoxymethane 163.18
    ethylene carbonate 318.78
    cyrene 174.78
    2-ethoxyethyl acetate 288.73
    2-ethylhexyl acetate 105.37
    1,2,4-trichlorobenzene 241.21
    4-methylpyridine 184.7
    dibutyl ether 67.99
    2,6-dimethyl-4-heptanol 20.27
    DEF 260.48
    dimethyl isosorbide 254.17
    tetrachloroethylene 304.9
    eugenol 142.14
    triacetin 323.87
    span 80 104.3
    1,4-butanediol 19.25
    1,1-dichloroethane 207.75
    2-methyl-1-pentanol 39.28
    methyl formate 131.92
    2-methyl-1-butanol 40.14
    n-decane 9.05
    butyronitrile 51.69
    3,7-dimethyl-1-octanol 38.16
    1-chlorooctane 44.8
    1-chlorotetradecane 13.87
    n-nonane 8.23
    undecane 5.43
    tert-butylcyclohexane 10.3
    cyclooctane 10.47
    cyclopentanol 98.29
    tetrahydropyran 170.17
    tert-amyl methyl ether 94.8
    2,5,8-trioxanonane 183.44
    1-hexene 23.37
    2-isopropoxyethanol 76.37
    2,2,2-trifluoroethanol 167.54
    methyl butyrate 223.67

    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