Sorbitan, didocosanoate

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  • Identifiers

    CAS number
    93980-58-6

    Molecular formula
    C50H96O7

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]1[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.77%
    Fatty 58.13%
    Oily 41.68%
    Odorless 38.83%
    Creamy 20.07%
    Sweet 17.09%
    Savory 16.82%
    Milky 16.31%
    Fishy 16.1%
    Dairy 15.57%

     

    Flavor
    Waxy 46.01%
    Fatty 42.15%
    Mild 40.74%
    Bland 40.69%
    Oily 32.15%
    Faint 31.34%
    Odorless 30.6%
    Slightly waxy 24.18%
    Fat 24.0%
    Bay oil 22.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.7

    pKa est.
    -34.5 (strong acid)

    Molecular weight
    809.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1089°C

    Flash point

    • 68.81 ˚C est.

  • Synonyms

    • Sorbitan, didocosanoate
    • 93980-58-6
    • EINECS 301-036-2
    • DTXSID80240068
    • RefChem:184430
    • DTXCID80162559
    • 301-036-2
    • Sorbitan,didocosanoate
    • XLHKBKPYBHLCTJ-NEWJQEBSSA-N
    • NS00039834
    • 1,4-Anhydro-3,5-di-O-docosanoyl-D-glucitol
    • 93980-58-6

  • Applications

    Sorbitan, didocosanoate (CAS 93980-58-6) is a nonionic sorbitan ester used as a lipophilic surfactant and emulsifier; in practice it is commonly employed in cosmetics and personal care as an emulsifier for oil-in-water or water-in-oil systems, in household and industrial cleaners as a surfactant and dispersing aid, in coatings and inks as an emulsifier or stabilizer for pigment dispersions, as a processing aid or lubricant in polymer and plastics formulations, and as an excipient to solubilize or carry lipophilic fragrances or actives in pharmaceutical formulations; its use is typically formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.81
    methanol 23.06
    isopropanol 18.38
    water 1.51
    ethyl acetate 188.15
    n-propanol 29.11
    acetone 129.41
    n-butanol 26.68
    acetonitrile 50.98
    DMF 268.26
    toluene 62.85
    isobutanol 25.12
    1,4-dioxane 138.98
    methyl acetate 155.81
    THF 343.73
    2-butanone 163.65
    n-pentanol 28.16
    sec-butanol 34.75
    n-hexane 8.13
    ethylene glycol 5.98
    NMP 857.55
    cyclohexane 23.28
    DMSO 307.89
    n-butyl acetate 118.55
    n-octanol 40.73
    chloroform 382.44
    n-propyl acetate 146.96
    acetic acid 175.17
    dichloromethane 400.91
    cyclohexanone 382.4
    propylene glycol 12.75
    isopropyl acetate 159.45
    DMAc 666.09
    2-ethoxyethanol 82.54
    isopentanol 28.86
    n-heptane 8.29
    ethyl formate 104.72
    1,2-dichloroethane 219.71
    n-hexanol 22.99
    2-methoxyethanol 80.3
    isobutyl acetate 86.56
    tetrachloromethane 101.17
    n-pentyl acetate 222.14
    transcutol 312.51
    n-heptanol 35.69
    ethylbenzene 41.29
    MIBK 100.06
    2-propoxyethanol 75.95
    tert-butanol 31.16
    MTBE 67.56
    2-butoxyethanol 113.84
    propionic acid 121.67
    o-xylene 67.98
    formic acid 52.3
    diethyl ether 54.85
    m-xylene 48.84
    p-xylene 57.71
    chlorobenzene 123.36
    dimethyl carbonate 147.48
    n-octane 6.14
    formamide 87.01
    cyclopentanone 469.77
    2-pentanone 142.66
    anisole 81.95
    cyclopentyl methyl ether 190.4
    gamma-butyrolactone 669.02
    1-methoxy-2-propanol 87.53
    pyridine 197.01
    3-pentanone 163.09
    furfural 418.01
    n-dodecane 3.71
    diethylene glycol 36.68
    diisopropyl ether 32.21
    tert-amyl alcohol 54.25
    acetylacetone 280.87
    n-hexadecane 4.42
    acetophenone 159.59
    methyl propionate 198.33
    isopentyl acetate 115.11
    trichloroethylene 527.09
    n-nonanol 42.89
    cyclohexanol 70.76
    benzyl alcohol 57.76
    2-ethylhexanol 27.68
    isooctanol 35.64
    dipropyl ether 55.7
    1,2-dichlorobenzene 165.77
    ethyl lactate 96.31
    propylene carbonate 406.48
    n-methylformamide 120.92
    2-pentanol 28.89
    n-pentane 6.25
    1-propoxy-2-propanol 83.47
    1-methoxy-2-propyl acetate 165.89
    2-(2-methoxypropoxy) propanol 107.69
    mesitylene 34.9
    ε-caprolactone 457.16
    p-cymene 32.6
    epichlorohydrin 435.51
    1,1,1-trichloroethane 332.93
    2-aminoethanol 16.69
    morpholine-4-carbaldehyde 420.8
    sulfolane 1047.12
    2,2,4-trimethylpentane 9.03
    2-methyltetrahydrofuran 250.1
    n-hexyl acetate 193.5
    isooctane 3.72
    2-(2-butoxyethoxy)ethanol 129.7
    sec-butyl acetate 122.95
    tert-butyl acetate 183.59
    decalin 14.49
    glycerin 27.69
    diglyme 300.99
    acrylic acid 121.04
    isopropyl myristate 56.51
    n-butyric acid 180.45
    acetyl acetate 209.9
    di(2-ethylhexyl) phthalate 62.8
    ethyl propionate 164.68
    nitromethane 379.9
    1,2-diethoxyethane 123.34
    benzonitrile 83.04
    trioctyl phosphate 46.3
    1-bromopropane 99.22
    gamma-valerolactone 629.66
    n-decanol 25.74
    triethyl phosphate 105.82
    4-methyl-2-pentanol 20.79
    propionitrile 52.75
    vinylene carbonate 343.89
    1,1,2-trichlorotrifluoroethane 393.26
    DMS 180.99
    cumene 30.88
    2-octanol 34.32
    2-hexanone 115.77
    octyl acetate 81.43
    limonene 53.91
    1,2-dimethoxyethane 147.55
    ethyl orthosilicate 92.37
    tributyl phosphate 64.19
    diacetone alcohol 151.73
    N,N-dimethylaniline 74.31
    acrylonitrile 73.1
    aniline 70.93
    1,3-propanediol 27.27
    bromobenzene 142.75
    dibromomethane 219.71
    1,1,2,2-tetrachloroethane 456.87
    2-methyl-cyclohexyl acetate 115.43
    tetrabutyl urea 91.46
    diisobutyl methanol 19.72
    2-phenylethanol 46.58
    styrene 45.45
    dioctyl adipate 111.51
    dimethyl sulfate 404.45
    ethyl butyrate 131.08
    methyl lactate 127.36
    butyl lactate 161.9
    diethyl carbonate 92.39
    propanediol butyl ether 87.44
    triethyl orthoformate 117.18
    p-tert-butyltoluene 31.82
    methyl 4-tert-butylbenzoate 206.7
    morpholine 173.43
    tert-butylamine 19.47
    n-dodecanol 17.07
    dimethoxymethane 148.65
    ethylene carbonate 297.96
    cyrene 168.89
    2-ethoxyethyl acetate 272.99
    2-ethylhexyl acetate 101.25
    1,2,4-trichlorobenzene 234.4
    4-methylpyridine 174.67
    dibutyl ether 65.41
    2,6-dimethyl-4-heptanol 19.72
    DEF 237.09
    dimethyl isosorbide 250.58
    tetrachloroethylene 281.91
    eugenol 135.77
    triacetin 310.29
    span 80 100.06
    1,4-butanediol 16.56
    1,1-dichloroethane 192.54
    2-methyl-1-pentanol 34.81
    methyl formate 118.48
    2-methyl-1-butanol 35.38
    n-decane 8.85
    butyronitrile 45.49
    3,7-dimethyl-1-octanol 35.71
    1-chlorooctane 43.76
    1-chlorotetradecane 13.31
    n-nonane 8.04
    undecane 5.28
    tert-butylcyclohexane 10.21
    cyclooctane 10.47
    cyclopentanol 90.17
    tetrahydropyran 158.18
    tert-amyl methyl ether 88.99
    2,5,8-trioxanonane 173.98
    1-hexene 21.96
    2-isopropoxyethanol 68.47
    2,2,2-trifluoroethanol 148.3
    methyl butyrate 206.64

    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