Sorbitan, monodocosanoate

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  • Identifiers

    CAS number
    62568-11-0

    Molecular formula
    C28H54O6

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.18%
    Fatty 53.7%
    Oily 41.43%
    Odorless 40.6%
    Creamy 21.64%
    Milky 20.32%
    Sweet 19.51%
    Savory 18.17%
    Buttery 18.01%
    Dairy 17.64%

     

    Flavor
    Waxy 44.63%
    Fatty 42.8%
    Mild 39.64%
    Bland 39.05%
    Oily 32.61%
    Odorless 32.51%
    Faint 27.62%
    Slightly waxy 23.91%
    Fat 23.09%
    Bay oil 22.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    -11.46 (strong acid)

    Molecular weight
    486.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    808°C

    Flash point

    • 150.06 ˚C est.

  • Synonyms

    • Sorbitan, monodocosanoate
    • 62568-11-0
    • EINECS 263-600-3
    • RefChem:184441
    • 263-600-3
    • [(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] docosanoate
    • SCHEMBL29369931
    • DTXSID60978150
    • GIZXIPWWFZNWJP-LUZHYNNESA-N
    • 1,4-Anhydro-5-O-docosanoylhexitol
    • (4xi)-1,4-Anhydro-5-O-docosanoyl-D-xylo-hexitol
    • 62568-11-0

  • Applications

    Sorbitan, monodocosanoate (CAS 62568-11-0) is a nonionic surfactant widely used as an emulsifier and stabilizer in oil-in-water systems, with applications across cosmetics and personal care; cleaning and household formulations; coatings and inks (as an emulsifier and pigment dispersant); polymer processing and plastics formulations (as an emulsification aid and stabilizer in dispersions); pharmaceutical formulations (as an excipient and solubilizer); and as a fragrance solubilizer in perfumery, as well as in agricultural formulations (emulsifiable concentrates).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.23
    methanol 18.41
    isopropanol 7.91
    water 1.75
    ethyl acetate 56.09
    n-propanol 12.78
    acetone 51.13
    n-butanol 11.49
    acetonitrile 19.7
    DMF 122.82
    toluene 17.1
    isobutanol 10.95
    1,4-dioxane 62.08
    methyl acetate 47.99
    THF 168.75
    2-butanone 53.61
    n-pentanol 12.9
    sec-butanol 13.84
    n-hexane 2.77
    ethylene glycol 3.74
    NMP 361.79
    cyclohexane 10.52
    DMSO 219.79
    n-butyl acetate 43.24
    n-octanol 23.04
    chloroform 139.83
    n-propyl acetate 56.19
    acetic acid 75.83
    dichloromethane 150.01
    cyclohexanone 167.4
    propylene glycol 6.88
    isopropyl acetate 54.45
    DMAc 292.19
    2-ethoxyethanol 45.68
    isopentanol 13.83
    n-heptane 3.53
    ethyl formate 39.49
    1,2-dichloroethane 87.12
    n-hexanol 10.92
    2-methoxyethanol 45.98
    isobutyl acetate 36.6
    tetrachloromethane 38.02
    n-pentyl acetate 99.77
    transcutol 197.92
    n-heptanol 21.56
    ethylbenzene 14.15
    MIBK 40.19
    2-propoxyethanol 38.77
    tert-butanol 16.04
    MTBE 26.71
    2-butoxyethanol 71.87
    propionic acid 47.93
    o-xylene 22.69
    formic acid 33.45
    diethyl ether 19.57
    m-xylene 15.47
    p-xylene 20.53
    chlorobenzene 35.48
    dimethyl carbonate 47.66
    n-octane 2.91
    formamide 57.45
    cyclopentanone 193.58
    2-pentanone 48.49
    anisole 31.51
    cyclopentyl methyl ether 80.86
    gamma-butyrolactone 254.97
    1-methoxy-2-propanol 43.9
    pyridine 67.6
    3-pentanone 52.65
    furfural 170.95
    n-dodecane 1.77
    diethylene glycol 23.21
    diisopropyl ether 12.01
    tert-amyl alcohol 23.55
    acetylacetone 99.26
    n-hexadecane 2.08
    acetophenone 62.68
    methyl propionate 61.5
    isopentyl acetate 47.97
    trichloroethylene 185.28
    n-nonanol 23.95
    cyclohexanol 33.56
    benzyl alcohol 25.59
    2-ethylhexanol 13.67
    isooctanol 21.4
    dipropyl ether 23.4
    1,2-dichlorobenzene 52.12
    ethyl lactate 43.98
    propylene carbonate 151.15
    n-methylformamide 53.68
    2-pentanol 11.23
    n-pentane 2.08
    1-propoxy-2-propanol 41.3
    1-methoxy-2-propyl acetate 67.26
    2-(2-methoxypropoxy) propanol 61.47
    mesitylene 12.52
    ε-caprolactone 185.64
    p-cymene 13.6
    epichlorohydrin 169.58
    1,1,1-trichloroethane 108.93
    2-aminoethanol 9.76
    morpholine-4-carbaldehyde 196.96
    sulfolane 487.28
    2,2,4-trimethylpentane 3.36
    2-methyltetrahydrofuran 100.34
    n-hexyl acetate 86.72
    isooctane 1.49
    2-(2-butoxyethoxy)ethanol 77.02
    sec-butyl acetate 46.96
    tert-butyl acetate 72.23
    decalin 6.19
    glycerin 17.14
    diglyme 183.69
    acrylic acid 44.26
    isopropyl myristate 24.86
    n-butyric acid 71.38
    acetyl acetate 63.26
    di(2-ethylhexyl) phthalate 29.18
    ethyl propionate 56.04
    nitromethane 153.09
    1,2-diethoxyethane 61.59
    benzonitrile 32.32
    trioctyl phosphate 23.02
    1-bromopropane 31.8
    gamma-valerolactone 269.04
    n-decanol 14.39
    triethyl phosphate 46.65
    4-methyl-2-pentanol 9.67
    propionitrile 17.7
    vinylene carbonate 121.04
    1,1,2-trichlorotrifluoroethane 184.71
    DMS 65.0
    cumene 12.66
    2-octanol 19.16
    2-hexanone 44.41
    octyl acetate 37.01
    limonene 21.02
    1,2-dimethoxyethane 82.7
    ethyl orthosilicate 43.63
    tributyl phosphate 30.68
    diacetone alcohol 73.68
    N,N-dimethylaniline 31.29
    acrylonitrile 26.27
    aniline 24.05
    1,3-propanediol 15.03
    bromobenzene 38.04
    dibromomethane 78.82
    1,1,2,2-tetrachloroethane 180.47
    2-methyl-cyclohexyl acetate 52.79
    tetrabutyl urea 45.11
    diisobutyl methanol 10.83
    2-phenylethanol 22.32
    styrene 15.04
    dioctyl adipate 51.71
    dimethyl sulfate 146.88
    ethyl butyrate 51.13
    methyl lactate 49.45
    butyl lactate 81.18
    diethyl carbonate 36.89
    propanediol butyl ether 53.08
    triethyl orthoformate 53.42
    p-tert-butyltoluene 13.31
    methyl 4-tert-butylbenzoate 95.55
    morpholine 83.2
    tert-butylamine 9.63
    n-dodecanol 9.44
    dimethoxymethane 61.25
    ethylene carbonate 108.12
    cyrene 88.48
    2-ethoxyethyl acetate 120.4
    2-ethylhexyl acetate 41.34
    1,2,4-trichlorobenzene 72.35
    4-methylpyridine 53.69
    dibutyl ether 30.96
    2,6-dimethyl-4-heptanol 10.83
    DEF 96.32
    dimethyl isosorbide 135.62
    tetrachloroethylene 124.74
    eugenol 72.08
    triacetin 134.93
    span 80 54.98
    1,4-butanediol 9.61
    1,1-dichloroethane 61.41
    2-methyl-1-pentanol 16.8
    methyl formate 45.34
    2-methyl-1-butanol 15.53
    n-decane 4.21
    butyronitrile 16.67
    3,7-dimethyl-1-octanol 19.64
    1-chlorooctane 20.22
    1-chlorotetradecane 5.84
    n-nonane 3.86
    undecane 2.53
    tert-butylcyclohexane 4.07
    cyclooctane 4.08
    cyclopentanol 41.08
    tetrahydropyran 67.14
    tert-amyl methyl ether 35.1
    2,5,8-trioxanonane 105.86
    1-hexene 7.21
    2-isopropoxyethanol 36.15
    2,2,2-trifluoroethanol 69.24
    methyl butyrate 78.6

    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