Sorbitan Triisostearate

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  • Identifiers

    CAS number
    54392-27-7

    Molecular formula
    C60H114O8

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC(C)C)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.35%
    Fatty 47.78%
    Odorless 40.3%
    Oily 37.03%
    Woody 18.93%
    Creamy 18.0%
    Balsamic 17.91%
    Alcoholic 17.9%
    Milky 17.49%
    Animal 16.39%

     

    Flavor
    Bland 42.12%
    Mild 38.52%
    Waxy 36.3%
    Fatty 35.01%
    Oily 31.72%
    Faint 31.1%
    Odorless 29.65%
    Slightly waxy 23.56%
    Bay oil 21.72%
    Fat 21.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    23.5

    pKa est.
    6.21 (neutral)

    Molecular weight
    963.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    684°C

    Flash point

    • 245.71 ˚C est.

  • Synonyms

    • Sorbitan, triisooctadecanoate
    • Sorbitan triisostearate
    • 54392-27-7
    • P3ZV48C8J1
    • RefChem:888290
    • DTXSID50969512
    • SORBITAN TRIISOSTEARATE [INCI]
    • 259-141-3
    • [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methylheptadecanoyloxy)ethyl]-4-(16-methylheptadecanoyloxy)oxolan-3-yl] 16-methylheptadecanoate
    • Anhydrosorbitol triisostearate
    • EINECS 259-141-3
    • Isostearic acid, sorbitan ester (3:1)
    • UNII-P3ZV48C8J1
    • SCHEMBL1891076
    • QWSHIYVIOOXKLL-LLPUSWRMSA-N
    • NS00014102
    • 54392-27-7

  • Applications

    Sorbitan Triisostearate (CAS 54392-27-7) is a lipophilic, nonionic surfactant commonly used as an emulsifier and stabilizer in cosmetic and personal-care formulations, enabling oil-in-water and water-in-oil emulsions, and often functioning as an emollient and mild dispersing aid in creams and lotions; it also serves as a surface-active agent in household cleaners and other cleaning formulations to improve wetting and oil dispersion; in coatings, inks, and polymer formulations it acts as an emulsifier and pigment dispersant, improving dispersion and film formation; in agriculture it may be used as an adjuvant to improve spreading, wetting, and compatibility of agrochemical formulations; in pharmaceuticals it can be used as an excipient to aid emulsification and dispersion of active ingredients in topical or oral dosage forms, depending on regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.1
    methanol 47.82
    isopropanol 57.83
    water 1.22
    ethyl acetate 454.41
    n-propanol 84.65
    acetone 336.51
    n-butanol 73.59
    acetonitrile 119.63
    DMF 483.31
    toluene 147.59
    isobutanol 75.88
    1,4-dioxane 281.48
    methyl acetate 367.66
    THF 680.03
    2-butanone 403.48
    n-pentanol 84.01
    sec-butanol 103.8
    n-hexane 19.63
    ethylene glycol 11.49
    NMP 1273.78
    cyclohexane 37.95
    DMSO 480.48
    n-butyl acetate 269.44
    n-octanol 85.7
    chloroform 842.4
    n-propyl acetate 335.92
    acetic acid 437.68
    dichloromethane 790.89
    cyclohexanone 722.48
    propylene glycol 31.83
    isopropyl acetate 370.46
    DMAc 1111.55
    2-ethoxyethanol 192.96
    isopentanol 75.39
    n-heptane 15.54
    ethyl formate 217.81
    1,2-dichloroethane 450.69
    n-hexanol 61.83
    2-methoxyethanol 184.73
    isobutyl acetate 202.94
    tetrachloromethane 197.61
    n-pentyl acetate 432.33
    transcutol 619.32
    n-heptanol 74.44
    ethylbenzene 89.57
    MIBK 226.79
    2-propoxyethanol 181.57
    tert-butanol 85.34
    MTBE 172.34
    2-butoxyethanol 230.35
    propionic acid 274.72
    o-xylene 139.41
    formic acid 99.23
    diethyl ether 142.4
    m-xylene 105.82
    p-xylene 124.68
    chlorobenzene 270.81
    dimethyl carbonate 279.95
    n-octane 10.46
    formamide 155.79
    cyclopentanone 895.83
    2-pentanone 351.89
    anisole 176.66
    cyclopentyl methyl ether 376.56
    gamma-butyrolactone 1165.76
    1-methoxy-2-propanol 207.1
    pyridine 379.03
    3-pentanone 358.49
    furfural 697.47
    n-dodecane 6.48
    diethylene glycol 76.83
    diisopropyl ether 71.02
    tert-amyl alcohol 146.61
    acetylacetone 602.31
    n-hexadecane 7.63
    acetophenone 307.6
    methyl propionate 441.72
    isopentyl acetate 256.54
    trichloroethylene 1072.78
    n-nonanol 87.98
    cyclohexanol 153.29
    benzyl alcohol 127.75
    2-ethylhexanol 62.05
    isooctanol 74.66
    dipropyl ether 110.35
    1,2-dichlorobenzene 334.98
    ethyl lactate 195.03
    propylene carbonate 718.13
    n-methylformamide 234.61
    2-pentanol 81.76
    n-pentane 15.09
    1-propoxy-2-propanol 184.44
    1-methoxy-2-propyl acetate 350.35
    2-(2-methoxypropoxy) propanol 206.28
    mesitylene 71.14
    ε-caprolactone 847.39
    p-cymene 66.64
    epichlorohydrin 862.51
    1,1,1-trichloroethane 716.12
    2-aminoethanol 37.0
    morpholine-4-carbaldehyde 708.48
    sulfolane 1592.66
    2,2,4-trimethylpentane 19.61
    2-methyltetrahydrofuran 523.61
    n-hexyl acetate 393.06
    isooctane 8.2
    2-(2-butoxyethoxy)ethanol 255.52
    sec-butyl acetate 278.41
    tert-butyl acetate 388.75
    decalin 25.48
    glycerin 58.71
    diglyme 540.3
    acrylic acid 257.56
    isopropyl myristate 111.56
    n-butyric acid 403.38
    acetyl acetate 435.21
    di(2-ethylhexyl) phthalate 120.32
    ethyl propionate 345.37
    nitromethane 771.11
    1,2-diethoxyethane 242.39
    benzonitrile 167.41
    trioctyl phosphate 87.29
    1-bromopropane 239.1
    gamma-valerolactone 1143.76
    n-decanol 52.17
    triethyl phosphate 179.43
    4-methyl-2-pentanol 55.85
    propionitrile 125.25
    vinylene carbonate 607.13
    1,1,2-trichlorotrifluoroethane 699.71
    DMS 354.1
    cumene 64.16
    2-octanol 70.99
    2-hexanone 270.01
    octyl acetate 161.51
    limonene 105.1
    1,2-dimethoxyethane 292.58
    ethyl orthosilicate 160.0
    tributyl phosphate 119.03
    diacetone alcohol 321.32
    N,N-dimethylaniline 139.09
    acrylonitrile 162.05
    aniline 154.99
    1,3-propanediol 66.78
    bromobenzene 318.34
    dibromomethane 473.38
    1,1,2,2-tetrachloroethane 939.37
    2-methyl-cyclohexyl acetate 220.45
    tetrabutyl urea 162.8
    diisobutyl methanol 41.78
    2-phenylethanol 105.86
    styrene 99.02
    dioctyl adipate 203.17
    dimethyl sulfate 642.37
    ethyl butyrate 263.43
    methyl lactate 246.89
    butyl lactate 309.79
    diethyl carbonate 179.11
    propanediol butyl ether 183.45
    triethyl orthoformate 214.63
    p-tert-butyltoluene 64.14
    methyl 4-tert-butylbenzoate 372.43
    morpholine 379.83
    tert-butylamine 50.84
    n-dodecanol 33.48
    dimethoxymethane 302.23
    ethylene carbonate 524.23
    cyrene 297.42
    2-ethoxyethyl acetate 541.48
    2-ethylhexyl acetate 216.48
    1,2,4-trichlorobenzene 457.94
    4-methylpyridine 372.36
    dibutyl ether 125.32
    2,6-dimethyl-4-heptanol 41.78
    DEF 466.81
    dimethyl isosorbide 423.89
    tetrachloroethylene 541.22
    eugenol 242.72
    triacetin 598.23
    span 80 194.78
    1,4-butanediol 39.47
    1,1-dichloroethane 474.12
    2-methyl-1-pentanol 95.34
    methyl formate 226.56
    2-methyl-1-butanol 94.74
    n-decane 15.1
    butyronitrile 112.4
    3,7-dimethyl-1-octanol 79.09
    1-chlorooctane 82.92
    1-chlorotetradecane 25.11
    n-nonane 13.67
    undecane 9.14
    tert-butylcyclohexane 20.29
    cyclooctane 16.74
    cyclopentanol 197.77
    tetrahydropyran 332.06
    tert-amyl methyl ether 202.21
    2,5,8-trioxanonane 292.95
    1-hexene 61.48
    2-isopropoxyethanol 164.37
    2,2,2-trifluoroethanol 295.57
    methyl butyrate 423.71

    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