Sorbitan, hexanoate

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  • Identifiers

    CAS number
    50809-53-5

    Molecular formula
    C12H22O6

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.69%
    Odorless 42.13%
    Oily 34.65%
    Buttery 32.08%
    Lactonic 31.01%
    Fatty 30.23%
    Sweet 29.44%
    Milky 27.57%
    Peach 26.06%
    Caramellic 23.28%

     

    Flavor
    Odorless 43.22%
    Bitter 36.85%
    Sweet 32.69%
    Fatty 32.18%
    Bland 30.35%
    Sweet-like 29.67%
    Mild 24.85%
    Waxy 22.87%
    Cauliflower 21.99%
    Oily 21.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.04 (neutral)

    Molecular weight
    262.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    562°C

    Flash point

    • 195.53 ˚C est.

  • Synonyms

    • Sorbitan, hexanoate
    • 50809-53-5
    • EINECS 256-775-2
    • RefChem:184435
    • 256-775-2
    • DTXSID00965044
    • 1,4-Anhydro-5-O-hexanoylhexitol
    • BNMOESQYPCJYSH-BWWCMOENSA-N
    • NS00120453
    • (4xi)-1,4-Anhydro-5-O-hexanoyl-D-xylo-hexitol
    • 50809-53-5

  • Applications

    Sorbitan, hexanoate (CAS 50809-53-5) is a nonionic surfactant commonly used as an emulsifier in cosmetics and personal care formulations to stabilize oil–water emulsions and improve dispersion of lipophilic ingredients. It is also employed as a solubilizer or excipient in food formulations and may serve as an additive in pharmaceutical products. In coatings, inks, and paints, it helps stabilize pigment suspensions and enhances processing. It can function as a cleaning surfactant in household products and as a processing aid or lubricant in polymer formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 400.05
    methanol 1496.26
    isopropanol 130.68
    water 157.24
    ethyl acetate 118.47
    n-propanol 190.24
    acetone 170.91
    n-butanol 150.98
    acetonitrile 89.58
    DMF 897.76
    toluene 10.61
    isobutanol 90.05
    1,4-dioxane 184.63
    methyl acetate 83.69
    THF 239.66
    2-butanone 60.29
    n-pentanol 68.45
    sec-butanol 77.0
    n-hexane 0.94
    ethylene glycol 636.78
    NMP 539.89
    cyclohexane 5.65
    DMSO 2251.31
    n-butyl acetate 45.71
    n-octanol 26.98
    chloroform 70.14
    n-propyl acetate 50.58
    acetic acid 1283.04
    dichloromethane 106.47
    cyclohexanone 169.76
    propylene glycol 356.24
    isopropyl acetate 75.78
    DMAc 635.13
    2-ethoxyethanol 427.82
    isopentanol 107.58
    n-heptane 1.61
    ethyl formate 164.05
    1,2-dichloroethane 87.0
    n-hexanol 49.63
    2-methoxyethanol 1049.57
    isobutyl acetate 30.97
    tetrachloromethane 10.32
    n-pentyl acetate 32.31
    transcutol 637.77
    n-heptanol 30.97
    ethylbenzene 8.6
    MIBK 57.13
    2-propoxyethanol 206.87
    tert-butanol 170.81
    MTBE 36.14
    2-butoxyethanol 123.52
    propionic acid 272.7
    o-xylene 14.89
    formic acid 2339.9
    diethyl ether 29.75
    m-xylene 13.3
    p-xylene 12.27
    chlorobenzene 20.86
    dimethyl carbonate 92.98
    n-octane 1.29
    formamide 2152.16
    cyclopentanone 223.72
    2-pentanone 72.22
    anisole 34.67
    cyclopentyl methyl ether 68.75
    gamma-butyrolactone 392.69
    1-methoxy-2-propanol 441.8
    pyridine 92.51
    3-pentanone 39.18
    furfural 381.21
    n-dodecane 1.29
    diethylene glycol 450.53
    diisopropyl ether 10.83
    tert-amyl alcohol 97.03
    acetylacetone 201.48
    n-hexadecane 1.42
    acetophenone 68.0
    methyl propionate 98.87
    isopentyl acetate 48.0
    trichloroethylene 152.45
    n-nonanol 25.01
    cyclohexanol 100.47
    benzyl alcohol 79.37
    2-ethylhexanol 22.74
    isooctanol 26.25
    dipropyl ether 15.48
    1,2-dichlorobenzene 29.13
    ethyl lactate 82.48
    propylene carbonate 205.15
    n-methylformamide 657.26
    2-pentanol 55.01
    n-pentane 1.58
    1-propoxy-2-propanol 97.03
    1-methoxy-2-propyl acetate 98.94
    2-(2-methoxypropoxy) propanol 115.1
    mesitylene 11.39
    ε-caprolactone 190.98
    p-cymene 9.15
    epichlorohydrin 279.27
    1,1,1-trichloroethane 35.89
    2-aminoethanol 659.0
    morpholine-4-carbaldehyde 497.01
    sulfolane 616.98
    2,2,4-trimethylpentane 1.78
    2-methyltetrahydrofuran 95.45
    n-hexyl acetate 43.93
    isooctane 1.28
    2-(2-butoxyethoxy)ethanol 171.51
    sec-butyl acetate 33.97
    tert-butyl acetate 83.24
    decalin 2.61
    glycerin 703.92
    diglyme 332.61
    acrylic acid 361.03
    isopropyl myristate 17.92
    n-butyric acid 332.03
    acetyl acetate 128.88
    di(2-ethylhexyl) phthalate 33.31
    ethyl propionate 44.3
    nitromethane 1121.93
    1,2-diethoxyethane 63.33
    benzonitrile 54.17
    trioctyl phosphate 25.59
    1-bromopropane 17.65
    gamma-valerolactone 439.21
    n-decanol 18.26
    triethyl phosphate 34.52
    4-methyl-2-pentanol 35.12
    propionitrile 45.01
    vinylene carbonate 198.27
    1,1,2-trichlorotrifluoroethane 498.64
    DMS 63.83
    cumene 8.41
    2-octanol 16.21
    2-hexanone 34.3
    octyl acetate 24.47
    limonene 13.71
    1,2-dimethoxyethane 294.13
    ethyl orthosilicate 29.75
    tributyl phosphate 28.62
    diacetone alcohol 173.95
    N,N-dimethylaniline 34.65
    acrylonitrile 105.75
    aniline 45.07
    1,3-propanediol 724.68
    bromobenzene 16.45
    dibromomethane 45.76
    1,1,2,2-tetrachloroethane 117.18
    2-methyl-cyclohexyl acetate 41.65
    tetrabutyl urea 42.7
    diisobutyl methanol 17.14
    2-phenylethanol 56.75
    styrene 9.97
    dioctyl adipate 40.85
    dimethyl sulfate 209.67
    ethyl butyrate 38.18
    methyl lactate 185.73
    butyl lactate 56.57
    diethyl carbonate 34.12
    propanediol butyl ether 136.23
    triethyl orthoformate 35.02
    p-tert-butyltoluene 9.08
    methyl 4-tert-butylbenzoate 74.34
    morpholine 259.37
    tert-butylamine 44.8
    n-dodecanol 13.86
    dimethoxymethane 284.58
    ethylene carbonate 163.57
    cyrene 163.56
    2-ethoxyethyl acetate 71.14
    2-ethylhexyl acetate 30.28
    1,2,4-trichlorobenzene 41.18
    4-methylpyridine 62.59
    dibutyl ether 14.12
    2,6-dimethyl-4-heptanol 17.14
    DEF 186.09
    dimethyl isosorbide 165.17
    tetrachloroethylene 88.95
    eugenol 81.72
    triacetin 85.45
    span 80 95.12
    1,4-butanediol 235.17
    1,1-dichloroethane 33.92
    2-methyl-1-pentanol 61.61
    methyl formate 429.41
    2-methyl-1-butanol 85.55
    n-decane 1.88
    butyronitrile 48.98
    3,7-dimethyl-1-octanol 28.02
    1-chlorooctane 7.65
    1-chlorotetradecane 3.92
    n-nonane 1.62
    undecane 1.49
    tert-butylcyclohexane 1.71
    cyclooctane 2.73
    cyclopentanol 119.9
    tetrahydropyran 71.5
    tert-amyl methyl ether 33.71
    2,5,8-trioxanonane 234.78
    1-hexene 3.47
    2-isopropoxyethanol 175.84
    2,2,2-trifluoroethanol 569.62
    methyl butyrate 72.86

    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