Sorbitan, tetraoctadecanoate

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  • Identifiers

    CAS number
    61752-68-9

    Molecular formula
    C78H148O9

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C1[C@@H]([C@H](CO1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

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  • Odor profile

    Fragrance
    Waxy 73.66%
    Fatty 60.59%
    Oily 44.77%
    Odorless 38.44%
    Creamy 21.18%
    Sweet 17.86%
    Milky 15.96%
    Dairy 15.78%
    Alcoholic 15.56%
    Buttery 15.54%

     

    Flavor
    Waxy 47.83%
    Fatty 43.34%
    Mild 41.5%
    Bland 40.81%
    Oily 35.63%
    Faint 32.64%
    Odorless 29.45%
    Fat 25.01%
    Slightly waxy 24.3%
    Bay oil 22.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    33.3

    pKa est.
    0.23 (strong acid)

    Molecular weight
    1230.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    676°C

    Flash point

    • 246.59 ˚C est.

  • Synonyms

    • Sorbitan, tetraoctadecanoate
    • 61752-68-9
    • EINECS 262-958-8
    • RefChem:184444
    • 262-958-8
    • SCHEMBL29361648
    • PZJDVAKEAKYPHG-UROSWEABSA-N
    • 61752-68-9

  • Applications

    Chemical name: Sorbitan, tetraoctadecanoate; CAS number: 61752-68-9. This sorbitan ester bearing four octadecanoate groups is a nonionic surfactant and stabilizer commonly used to emulsify and stabilize oil‑in‑water or water‑in‑oil systems in various formulations. Practical applications span: act as an emulsifier/stabilizer in cosmetics and personal care products (creams, lotions); as a surfactant in household cleaning and laundry products; as a processing aid in polymers/plastics (pigment dispersion, lubrication); as a dispersant/emulsifier in coatings and inks; as an adjuvant in agricultural formulations (emulsifiable concentrates and pesticide formulations); and as an excipient/emulsifier in certain pharmaceutical formulations, subject to regulatory restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.95
    methanol 64.8
    isopropanol 59.4
    water 3.56
    ethyl acetate 569.76
    n-propanol 93.08
    acetone 400.92
    n-butanol 78.23
    acetonitrile 189.55
    DMF 664.32
    toluene 170.85
    isobutanol 79.85
    1,4-dioxane 314.21
    methyl acetate 523.76
    THF 639.84
    2-butanone 477.31
    n-pentanol 86.44
    sec-butanol 108.17
    n-hexane 21.41
    ethylene glycol 19.67
    NMP 1836.22
    cyclohexane 44.53
    DMSO 627.76
    n-butyl acetate 291.33
    n-octanol 73.89
    chloroform 1021.55
    n-propyl acetate 386.97
    acetic acid 558.73
    dichloromethane 1065.57
    cyclohexanone 844.06
    propylene glycol 41.21
    isopropyl acetate 425.82
    DMAc 1536.02
    2-ethoxyethanol 209.29
    isopentanol 76.84
    n-heptane 15.85
    ethyl formate 303.78
    1,2-dichloroethane 580.43
    n-hexanol 56.77
    2-methoxyethanol 208.07
    isobutyl acetate 216.41
    tetrachloromethane 258.04
    n-pentyl acetate 433.12
    transcutol 560.51
    n-heptanol 66.57
    ethylbenzene 101.98
    MIBK 239.42
    2-propoxyethanol 172.68
    tert-butanol 84.95
    MTBE 168.29
    2-butoxyethanol 210.84
    propionic acid 386.79
    o-xylene 173.59
    formic acid 164.54
    diethyl ether 153.75
    m-xylene 122.12
    p-xylene 149.33
    chlorobenzene 354.78
    dimethyl carbonate 425.27
    n-octane 11.33
    formamide 271.83
    cyclopentanone 1046.24
    2-pentanone 381.82
    anisole 199.44
    cyclopentyl methyl ether 376.36
    gamma-butyrolactone 1540.08
    1-methoxy-2-propanol 213.1
    pyridine 492.84
    3-pentanone 441.81
    furfural 1029.84
    n-dodecane 7.1
    diethylene glycol 89.29
    diisopropyl ether 77.1
    tert-amyl alcohol 146.29
    acetylacetone 750.76
    n-hexadecane 8.28
    acetophenone 386.36
    methyl propionate 579.01
    isopentyl acetate 258.58
    trichloroethylene 1404.57
    n-nonanol 76.4
    cyclohexanol 162.59
    benzyl alcohol 155.85
    2-ethylhexanol 57.33
    isooctanol 64.89
    dipropyl ether 111.1
    1,2-dichlorobenzene 463.57
    ethyl lactate 246.6
    propylene carbonate 969.44
    n-methylformamide 356.27
    2-pentanol 82.67
    n-pentane 16.84
    1-propoxy-2-propanol 172.81
    1-methoxy-2-propyl acetate 369.76
    2-(2-methoxypropoxy) propanol 208.62
    mesitylene 83.81
    ε-caprolactone 1022.16
    p-cymene 71.57
    epichlorohydrin 1015.71
    1,1,1-trichloroethane 901.98
    2-aminoethanol 51.39
    morpholine-4-carbaldehyde 910.09
    sulfolane 2133.42
    2,2,4-trimethylpentane 19.87
    2-methyltetrahydrofuran 546.62
    n-hexyl acetate 375.98
    isooctane 7.99
    2-(2-butoxyethoxy)ethanol 229.63
    sec-butyl acetate 317.47
    tert-butyl acetate 429.79
    decalin 28.58
    glycerin 79.51
    diglyme 549.11
    acrylic acid 417.67
    isopropyl myristate 113.89
    n-butyric acid 483.3
    acetyl acetate 649.81
    di(2-ethylhexyl) phthalate 133.08
    ethyl propionate 431.59
    nitromethane 1156.03
    1,2-diethoxyethane 243.16
    benzonitrile 225.47
    trioctyl phosphate 93.01
    1-bromopropane 271.02
    gamma-valerolactone 1321.39
    n-decanol 47.04
    triethyl phosphate 220.74
    4-methyl-2-pentanol 52.4
    propionitrile 180.91
    vinylene carbonate 894.25
    1,1,2-trichlorotrifluoroethane 919.4
    DMS 473.02
    cumene 72.13
    2-octanol 63.67
    2-hexanone 290.23
    octyl acetate 162.85
    limonene 108.47
    1,2-dimethoxyethane 331.8
    ethyl orthosilicate 183.93
    tributyl phosphate 134.34
    diacetone alcohol 342.18
    N,N-dimethylaniline 161.13
    acrylonitrile 257.27
    aniline 202.28
    1,3-propanediol 77.17
    bromobenzene 408.05
    dibromomethane 583.5
    1,1,2,2-tetrachloroethane 1152.37
    2-methyl-cyclohexyl acetate 240.03
    tetrabutyl urea 181.09
    diisobutyl methanol 38.37
    2-phenylethanol 110.34
    styrene 120.37
    dioctyl adipate 217.37
    dimethyl sulfate 1039.05
    ethyl butyrate 300.65
    methyl lactate 342.13
    butyl lactate 311.38
    diethyl carbonate 221.18
    propanediol butyl ether 168.35
    triethyl orthoformate 236.78
    p-tert-butyltoluene 65.91
    methyl 4-tert-butylbenzoate 419.37
    morpholine 394.53
    tert-butylamine 50.37
    n-dodecanol 31.99
    dimethoxymethane 350.7
    ethylene carbonate 723.75
    cyrene 357.54
    2-ethoxyethyl acetate 590.88
    2-ethylhexyl acetate 223.9
    1,2,4-trichlorobenzene 639.52
    4-methylpyridine 471.25
    dibutyl ether 123.27
    2,6-dimethyl-4-heptanol 38.37
    DEF 586.7
    dimethyl isosorbide 429.22
    tetrachloroethylene 695.84
    eugenol 276.81
    triacetin 690.23
    span 80 187.14
    1,4-butanediol 51.3
    1,1-dichloroethane 576.86
    2-methyl-1-pentanol 96.05
    methyl formate 344.11
    2-methyl-1-butanol 99.57
    n-decane 15.45
    butyronitrile 143.03
    3,7-dimethyl-1-octanol 67.94
    1-chlorooctane 81.97
    1-chlorotetradecane 26.65
    n-nonane 14.24
    undecane 9.69
    tert-butylcyclohexane 20.77
    cyclooctane 19.8
    cyclopentanol 215.15
    tetrahydropyran 341.34
    tert-amyl methyl ether 205.85
    2,5,8-trioxanonane 317.31
    1-hexene 63.09
    2-isopropoxyethanol 169.06
    2,2,2-trifluoroethanol 444.8
    methyl butyrate 514.56

    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