Sorbitan, trihexadecanoate

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  • Identifiers

    CAS number
    54140-20-4

    Molecular formula
    C54H102O8

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.3%
    Fatty 59.06%
    Oily 44.56%
    Odorless 39.45%
    Creamy 22.76%
    Milky 19.4%
    Buttery 18.73%
    Sweet 18.46%
    Dairy 17.97%
    Alcoholic 17.4%

     

    Flavor
    Waxy 45.97%
    Fatty 44.6%
    Mild 41.34%
    Bland 41.22%
    Oily 36.96%
    Faint 31.59%
    Odorless 31.18%
    Fat 25.0%
    Slightly waxy 24.31%
    Bay oil 22.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.1

    pKa est.
    7.7 (neutral)

    Molecular weight
    879.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    697°C

    Flash point

    • 256.63 ˚C est.

  • Synonyms

    • Sorbitan, trihexadecanoate
    • Sorbitan tripalmitate
    • Anhydro-D-glucitol tripalmitate
    • EINECS 258-994-9
    • RefChem:888316
    • 258-994-9
    • 54140-20-4
    • SCHEMBL2702639
    • DTXSID30969050
    • NVANJYGRGNEULT-BDZGGURLSA-N
    • 1,4-Anhydro-2,3,5-tri-O-hexadecanoylhexitol
    • 1,4-anhydro-2,3,5-tri-O-hexadecanoyl-D-glucitol
    • (2R,3R,4S)-2-((R)-2-hydroxy-1-(palmitoyloxy)ethyl)tetrahydrofuran-3,4-diyl dipalmitate
    • 54140-20-4

  • Applications

    Sorbitan, trihexadecanoate (CAS 54140-20-4) is a nonionic sorbitan ester that acts primarily as an emulsifier, surfactant, and stabilizer in cosmetic and personal care formulations. It is also used as an emulsifying and thickening additive in foods, and as a processing aid and lubricant in polymers and plastics to improve dispersion and compatibility of oil phases. In coatings and inks, it serves as a wetting agent and surfactant to enhance pigment dispersion and film formation. It can function as a waxy emollient or processing aid in cosmetics and as a pharmaceutical excipient/emulsifier in certain formulations. In household and cleaning products, it provides emulsification and soil-release properties, helping formulations to mix oils and water. Regulatory approvals and limits apply depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.0
    methanol 55.38
    isopropanol 54.03
    water 2.85
    ethyl acetate 511.73
    n-propanol 82.97
    acetone 364.09
    n-butanol 72.09
    acetonitrile 159.02
    DMF 606.2
    toluene 149.22
    isobutanol 70.89
    1,4-dioxane 306.77
    methyl acetate 453.45
    THF 664.84
    2-butanone 428.91
    n-pentanol 76.19
    sec-butanol 99.67
    n-hexane 20.37
    ethylene glycol 15.64
    NMP 1659.06
    cyclohexane 47.99
    DMSO 640.9
    n-butyl acetate 274.59
    n-octanol 77.14
    chloroform 844.54
    n-propyl acetate 356.14
    acetic acid 472.27
    dichloromethane 893.96
    cyclohexanone 805.7
    propylene glycol 32.57
    isopropyl acetate 398.62
    DMAc 1435.45
    2-ethoxyethanol 190.27
    isopentanol 73.01
    n-heptane 16.1
    ethyl formate 271.49
    1,2-dichloroethane 526.07
    n-hexanol 55.84
    2-methoxyethanol 187.04
    isobutyl acetate 194.01
    tetrachloromethane 221.28
    n-pentyl acetate 436.31
    transcutol 551.66
    n-heptanol 69.54
    ethylbenzene 89.89
    MIBK 226.06
    2-propoxyethanol 164.79
    tert-butanol 81.05
    MTBE 162.57
    2-butoxyethanol 211.98
    propionic acid 327.93
    o-xylene 148.37
    formic acid 128.76
    diethyl ether 148.35
    m-xylene 105.37
    p-xylene 129.08
    chlorobenzene 302.49
    dimethyl carbonate 364.24
    n-octane 11.55
    formamide 216.61
    cyclopentanone 1003.76
    2-pentanone 355.28
    anisole 182.07
    cyclopentyl methyl ether 378.35
    gamma-butyrolactone 1429.44
    1-methoxy-2-propanol 196.03
    pyridine 446.2
    3-pentanone 400.53
    furfural 877.81
    n-dodecane 7.2
    diethylene glycol 78.41
    diisopropyl ether 72.8
    tert-amyl alcohol 138.57
    acetylacetone 674.12
    n-hexadecane 8.43
    acetophenone 341.72
    methyl propionate 522.15
    isopentyl acetate 246.28
    trichloroethylene 1185.88
    n-nonanol 79.52
    cyclohexanol 158.07
    benzyl alcohol 135.47
    2-ethylhexanol 57.39
    isooctanol 68.54
    dipropyl ether 109.0
    1,2-dichlorobenzene 382.98
    ethyl lactate 214.3
    propylene carbonate 884.42
    n-methylformamide 306.2
    2-pentanol 77.95
    n-pentane 16.05
    1-propoxy-2-propanol 164.65
    1-methoxy-2-propyl acetate 346.41
    2-(2-methoxypropoxy) propanol 196.0
    mesitylene 73.02
    ε-caprolactone 960.3
    p-cymene 64.29
    epichlorohydrin 949.19
    1,1,1-trichloroethane 778.7
    2-aminoethanol 41.58
    morpholine-4-carbaldehyde 847.32
    sulfolane 1942.84
    2,2,4-trimethylpentane 19.11
    2-methyltetrahydrofuran 546.23
    n-hexyl acetate 380.45
    isooctane 7.75
    2-(2-butoxyethoxy)ethanol 229.15
    sec-butyl acetate 282.77
    tert-butyl acetate 395.51
    decalin 27.37
    glycerin 62.89
    diglyme 518.49
    acrylic acid 333.45
    isopropyl myristate 111.32
    n-butyric acid 443.03
    acetyl acetate 551.08
    di(2-ethylhexyl) phthalate 124.94
    ethyl propionate 392.02
    nitromethane 964.15
    1,2-diethoxyethane 241.04
    benzonitrile 193.4
    trioctyl phosphate 90.69
    1-bromopropane 251.01
    gamma-valerolactone 1244.05
    n-decanol 48.94
    triethyl phosphate 205.55
    4-methyl-2-pentanol 49.6
    propionitrile 155.78
    vinylene carbonate 788.14
    1,1,2-trichlorotrifluoroethane 782.02
    DMS 424.31
    cumene 63.0
    2-octanol 65.62
    2-hexanone 263.67
    octyl acetate 165.72
    limonene 103.54
    1,2-dimethoxyethane 303.53
    ethyl orthosilicate 172.31
    tributyl phosphate 126.97
    diacetone alcohol 314.47
    N,N-dimethylaniline 143.7
    acrylonitrile 215.11
    aniline 173.48
    1,3-propanediol 67.95
    bromobenzene 352.2
    dibromomethane 506.36
    1,1,2,2-tetrachloroethane 980.87
    2-methyl-cyclohexyl acetate 222.54
    tetrabutyl urea 173.35
    diisobutyl methanol 37.26
    2-phenylethanol 102.47
    styrene 106.95
    dioctyl adipate 216.49
    dimethyl sulfate 886.52
    ethyl butyrate 278.39
    methyl lactate 296.46
    butyl lactate 300.62
    diethyl carbonate 200.24
    propanediol butyl ether 162.95
    triethyl orthoformate 220.89
    p-tert-butyltoluene 59.78
    methyl 4-tert-butylbenzoate 381.58
    morpholine 386.76
    tert-butylamine 47.96
    n-dodecanol 32.94
    dimethoxymethane 333.48
    ethylene carbonate 672.79
    cyrene 313.52
    2-ethoxyethyl acetate 561.11
    2-ethylhexyl acetate 214.6
    1,2,4-trichlorobenzene 534.44
    4-methylpyridine 424.28
    dibutyl ether 125.69
    2,6-dimethyl-4-heptanol 37.26
    DEF 541.78
    dimethyl isosorbide 415.07
    tetrachloroethylene 595.56
    eugenol 251.1
    triacetin 627.65
    span 80 179.57
    1,4-butanediol 42.43
    1,1-dichloroethane 495.35
    2-methyl-1-pentanol 87.53
    methyl formate 289.72
    2-methyl-1-butanol 91.37
    n-decane 16.22
    butyronitrile 128.14
    3,7-dimethyl-1-octanol 69.16
    1-chlorooctane 83.21
    1-chlorotetradecane 26.91
    n-nonane 14.59
    undecane 9.98
    tert-butylcyclohexane 19.62
    cyclooctane 20.23
    cyclopentanol 207.6
    tetrahydropyran 349.3
    tert-amyl methyl ether 200.86
    2,5,8-trioxanonane 302.03
    1-hexene 57.72
    2-isopropoxyethanol 154.89
    2,2,2-trifluoroethanol 360.28
    methyl butyrate 462.99

    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