Sorbitan, trioctanoate

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  • Identifiers

    CAS number
    94131-37-0

    Molecular formula
    C30H54O8

    SMILES
    CCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCC)[C@@H](CO)OC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 48.56%
    Fatty 45.62%
    Peach 40.18%
    Lactonic 39.62%
    Fruity 37.18%
    Odorless 35.93%
    Waxy 32.94%
    Buttery 32.7%
    Milky 28.59%
    Creamy 25.01%

     

    Flavor
    Waxy 40.85%
    Oily 37.59%
    Fatty 37.47%
    Bland 34.47%
    Mild 32.53%
    Odorless 29.82%
    Creamy 23.93%
    Fruity 23.82%
    Bay oil 22.72%
    Beer 22.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    6.53 (neutral)

    Molecular weight
    542.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    549°C

    Flash point

    • 211.58 ˚C est.

  • Synonyms

    • Sorbitan, trioctanoate
    • 94131-37-0
    • EINECS 302-698-5
    • DTXSID40240665
    • RefChem:184449
    • DTXCID70163156
    • 302-698-5
    • Sorbitan,trioctanoate
    • SCHEMBL10007312
    • YPSQXMOPHRARAQ-LPKQAODOSA-N
    • NS00040092
    • 1,4-Anhydro-2,3,5-tri-O-octanoyl-D-glucitol
    • 94131-37-0

  • Applications

    Sorbitan, trioctanoate (CAS 94131-37-0) is a nonionic surfactant and emulsifier used across a range of consumer and industrial formulations. In cosmetics and personal care, it acts as an emulsifier and stabilizer for oil-in-water emulsions and helps disperse oils in creams, lotions, and cleansers. In fragrance and flavor systems, it can function as a solubilizer and co-emulsifier to improve fragrance oil dispersion. In household and industrial cleaning products, it serves as a surfactant to enhance wetting, dispersion, and cleaning performance. In pharmaceuticals, it is used as an excipient to aid emulsification and solubilization of active ingredients. In coatings, paints, inks and polymer processing, it helps stabilize emulsions and improve compatibility of hydrophobic components. In agriculture, it may be used as an adjuvant to improve spray deposition and spread of agrochemicals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.72
    methanol 177.65
    isopropanol 137.52
    water 7.64
    ethyl acetate 849.77
    n-propanol 191.77
    acetone 740.27
    n-butanol 170.48
    acetonitrile 379.45
    DMF 1137.09
    toluene 201.66
    isobutanol 156.05
    1,4-dioxane 468.94
    methyl acetate 815.7
    THF 942.67
    2-butanone 735.44
    n-pentanol 154.1
    sec-butanol 212.27
    n-hexane 23.46
    ethylene glycol 49.19
    NMP 2529.32
    cyclohexane 51.3
    DMSO 1370.58
    n-butyl acetate 392.5
    n-octanol 106.06
    chloroform 1123.94
    n-propyl acetate 502.7
    acetic acid 1238.77
    dichloromethane 1373.31
    cyclohexanone 1123.79
    propylene glycol 84.53
    isopropyl acetate 545.87
    DMAc 2380.35
    2-ethoxyethanol 391.24
    isopentanol 153.61
    n-heptane 15.03
    ethyl formate 478.97
    1,2-dichloroethane 899.0
    n-hexanol 102.29
    2-methoxyethanol 450.93
    isobutyl acetate 247.71
    tetrachloromethane 275.28
    n-pentyl acetate 509.9
    transcutol 931.27
    n-heptanol 102.64
    ethylbenzene 109.32
    MIBK 315.34
    2-propoxyethanol 301.79
    tert-butanol 165.19
    MTBE 254.11
    2-butoxyethanol 331.69
    propionic acid 676.24
    o-xylene 181.09
    formic acid 403.99
    diethyl ether 246.66
    m-xylene 127.36
    p-xylene 156.06
    chlorobenzene 398.01
    dimethyl carbonate 551.17
    n-octane 10.93
    formamide 663.67
    cyclopentanone 1407.61
    2-pentanone 582.39
    anisole 247.38
    cyclopentyl methyl ether 485.53
    gamma-butyrolactone 1947.66
    1-methoxy-2-propanol 395.48
    pyridine 655.27
    3-pentanone 609.29
    furfural 1316.76
    n-dodecane 8.16
    diethylene glycol 177.97
    diisopropyl ether 94.25
    tert-amyl alcohol 261.76
    acetylacetone 985.83
    n-hexadecane 9.37
    acetophenone 469.33
    methyl propionate 815.21
    isopentyl acetate 333.77
    trichloroethylene 1799.45
    n-nonanol 108.56
    cyclohexanol 285.47
    benzyl alcohol 228.1
    2-ethylhexanol 85.45
    isooctanol 90.65
    dipropyl ether 126.67
    1,2-dichlorobenzene 471.1
    ethyl lactate 296.83
    propylene carbonate 1196.72
    n-methylformamide 661.27
    2-pentanol 151.61
    n-pentane 20.46
    1-propoxy-2-propanol 242.21
    1-methoxy-2-propyl acetate 462.45
    2-(2-methoxypropoxy) propanol 290.19
    mesitylene 80.46
    ε-caprolactone 1334.19
    p-cymene 70.31
    epichlorohydrin 1413.56
    1,1,1-trichloroethane 978.85
    2-aminoethanol 122.66
    morpholine-4-carbaldehyde 1360.21
    sulfolane 2641.18
    2,2,4-trimethylpentane 22.32
    2-methyltetrahydrofuran 782.61
    n-hexyl acetate 486.56
    isooctane 8.06
    2-(2-butoxyethoxy)ethanol 360.26
    sec-butyl acetate 371.09
    tert-butyl acetate 488.89
    decalin 30.4
    glycerin 164.46
    diglyme 791.13
    acrylic acid 684.68
    isopropyl myristate 135.41
    n-butyric acid 876.08
    acetyl acetate 858.08
    di(2-ethylhexyl) phthalate 165.9
    ethyl propionate 511.43
    nitromethane 2109.74
    1,2-diethoxyethane 348.92
    benzonitrile 288.47
    trioctyl phosphate 116.22
    1-bromopropane 377.92
    gamma-valerolactone 1709.54
    n-decanol 69.42
    triethyl phosphate 243.28
    4-methyl-2-pentanol 82.25
    propionitrile 281.31
    vinylene carbonate 1080.2
    1,1,2-trichlorotrifluoroethane 1251.6
    DMS 559.76
    cumene 76.95
    2-octanol 87.8
    2-hexanone 376.74
    octyl acetate 219.49
    limonene 116.75
    1,2-dimethoxyethane 507.23
    ethyl orthosilicate 204.57
    tributyl phosphate 164.22
    diacetone alcohol 476.77
    N,N-dimethylaniline 192.84
    acrylonitrile 415.6
    aniline 275.1
    1,3-propanediol 190.19
    bromobenzene 428.12
    dibromomethane 770.03
    1,1,2,2-tetrachloroethane 1404.87
    2-methyl-cyclohexyl acetate 273.37
    tetrabutyl urea 218.69
    diisobutyl methanol 46.51
    2-phenylethanol 159.07
    styrene 138.81
    dioctyl adipate 265.82
    dimethyl sulfate 1247.64
    ethyl butyrate 354.59
    methyl lactate 475.29
    butyl lactate 366.92
    diethyl carbonate 260.22
    propanediol butyl ether 248.6
    triethyl orthoformate 251.54
    p-tert-butyltoluene 63.31
    methyl 4-tert-butylbenzoate 450.59
    morpholine 664.76
    tert-butylamine 84.56
    n-dodecanol 46.93
    dimethoxymethane 554.61
    ethylene carbonate 926.03
    cyrene 437.64
    2-ethoxyethyl acetate 723.93
    2-ethylhexyl acetate 276.12
    1,2,4-trichlorobenzene 675.55
    4-methylpyridine 615.45
    dibutyl ether 144.01
    2,6-dimethyl-4-heptanol 46.51
    DEF 899.33
    dimethyl isosorbide 517.39
    tetrachloroethylene 954.79
    eugenol 322.75
    triacetin 759.82
    span 80 252.73
    1,4-butanediol 104.34
    1,1-dichloroethane 744.46
    2-methyl-1-pentanol 172.56
    methyl formate 567.19
    2-methyl-1-butanol 197.79
    n-decane 16.61
    butyronitrile 237.91
    3,7-dimethyl-1-octanol 95.78
    1-chlorooctane 98.06
    1-chlorotetradecane 32.99
    n-nonane 14.93
    undecane 10.91
    tert-butylcyclohexane 20.09
    cyclooctane 18.59
    cyclopentanol 363.02
    tetrahydropyran 501.27
    tert-amyl methyl ether 298.26
    2,5,8-trioxanonane 470.34
    1-hexene 79.22
    2-isopropoxyethanol 295.07
    2,2,2-trifluoroethanol 823.46
    methyl butyrate 658.74

    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