Sorbitan, tridodecanoate

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  • Identifiers

    CAS number
    71217-21-5

    Molecular formula
    C42H78O8

    SMILES
    CCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCC

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  • Odor profile

    Fragrance
    Waxy 56.61%
    Fatty 55.16%
    Oily 46.6%
    Odorless 40.76%
    Buttery 25.49%
    Creamy 25.04%
    Milky 24.51%
    Lactonic 23.53%
    Peach 23.5%
    Dairy 21.3%

     

    Flavor
    Waxy 44.76%
    Fatty 43.51%
    Bland 39.91%
    Oily 39.83%
    Mild 39.34%
    Odorless 31.35%
    Faint 28.09%
    Creamy 24.1%
    Slightly waxy 23.77%
    Fat 23.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.6

    pKa est.
    8.14 (weak base)

    Molecular weight
    711.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    655°C

    Flash point

    • 231.87 ˚C est.

  • Synonyms

    • Sorbitan, tridodecanoate
    • EINECS 275-277-6
    • 71217-21-5
    • AI3-04599
    • RefChem:184448
    • 275-277-6
    • Sorbitan,tridodecanoate
    • SCHEMBL2702118
    • WFYQXRLQOPKLJW-JXWCMEKSSA-N
    • 71217-21-5

  • Applications

    Sorbitan, tridodecanoate (CAS 71217-21-5) is a sorbitan ester with three dodecanoate groups, functioning as a nonionic surfactant and emulsifier for oil-in-water systems. Real-world applications include: use as an emulsifier and emulsion stabilizer in cosmetics and personal care; acting as a solubilizer and dispersant for fragrance oils and essential oils in perfumery; serving as an emulsifier and wetting/dispersing aid in household cleaning products; used as an emulsifying/dispersing additive in coatings and inks and in polymer formulations to improve dispersion and stabilization; and used as an excipient or processing aid in pharmaceuticals or agricultural formulations to enhance emulsification and stability, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.17
    methanol 87.74
    isopropanol 84.28
    water 4.47
    ethyl acetate 730.41
    n-propanol 123.25
    acetone 535.73
    n-butanol 110.19
    acetonitrile 244.89
    DMF 835.27
    toluene 196.81
    isobutanol 106.09
    1,4-dioxane 409.31
    methyl acetate 652.16
    THF 853.97
    2-butanone 605.74
    n-pentanol 108.72
    sec-butanol 149.75
    n-hexane 25.11
    ethylene glycol 24.43
    NMP 2149.18
    cyclohexane 58.1
    DMSO 903.33
    n-butyl acetate 353.61
    n-octanol 98.26
    chloroform 1083.09
    n-propyl acetate 468.56
    acetic acid 727.35
    dichloromethane 1180.98
    cyclohexanone 1031.98
    propylene glycol 47.67
    isopropyl acetate 537.47
    DMAc 1952.48
    2-ethoxyethanol 269.56
    isopentanol 108.06
    n-heptane 18.36
    ethyl formate 380.29
    1,2-dichloroethane 726.38
    n-hexanol 76.86
    2-methoxyethanol 271.7
    isobutyl acetate 246.07
    tetrachloromethane 278.02
    n-pentyl acetate 534.33
    transcutol 715.23
    n-heptanol 92.41
    ethylbenzene 111.19
    MIBK 295.05
    2-propoxyethanol 222.92
    tert-butanol 118.48
    MTBE 221.63
    2-butoxyethanol 276.25
    propionic acid 477.1
    o-xylene 182.65
    formic acid 199.09
    diethyl ether 211.38
    m-xylene 129.42
    p-xylene 159.08
    chlorobenzene 390.42
    dimethyl carbonate 495.14
    n-octane 13.23
    formamide 337.66
    cyclopentanone 1278.29
    2-pentanone 491.65
    anisole 235.56
    cyclopentyl methyl ether 480.12
    gamma-butyrolactone 1800.24
    1-methoxy-2-propanol 282.18
    pyridine 585.93
    3-pentanone 541.0
    furfural 1113.85
    n-dodecane 8.49
    diethylene glycol 106.8
    diisopropyl ether 93.75
    tert-amyl alcohol 198.1
    acetylacetone 900.8
    n-hexadecane 9.91
    acetophenone 437.25
    methyl propionate 724.7
    isopentyl acetate 312.59
    trichloroethylene 1551.42
    n-nonanol 100.33
    cyclohexanol 220.3
    benzyl alcohol 181.14
    2-ethylhexanol 74.18
    isooctanol 87.61
    dipropyl ether 130.97
    1,2-dichlorobenzene 482.32
    ethyl lactate 272.31
    propylene carbonate 1132.07
    n-methylformamide 448.26
    2-pentanol 115.26
    n-pentane 20.96
    1-propoxy-2-propanol 208.64
    1-methoxy-2-propyl acetate 440.38
    2-(2-methoxypropoxy) propanol 247.07
    mesitylene 85.71
    ε-caprolactone 1232.03
    p-cymene 74.72
    epichlorohydrin 1238.59
    1,1,1-trichloroethane 984.15
    2-aminoethanol 62.32
    morpholine-4-carbaldehyde 1134.46
    sulfolane 2393.22
    2,2,4-trimethylpentane 23.24
    2-methyltetrahydrofuran 719.26
    n-hexyl acetate 475.86
    isooctane 9.04
    2-(2-butoxyethoxy)ethanol 293.31
    sec-butyl acetate 364.25
    tert-butyl acetate 507.91
    decalin 32.32
    glycerin 90.66
    diglyme 670.38
    acrylic acid 479.39
    isopropyl myristate 137.74
    n-butyric acid 642.6
    acetyl acetate 755.21
    di(2-ethylhexyl) phthalate 152.65
    ethyl propionate 501.98
    nitromethane 1392.27
    1,2-diethoxyethane 309.62
    benzonitrile 257.93
    trioctyl phosphate 112.2
    1-bromopropane 333.5
    gamma-valerolactone 1562.8
    n-decanol 61.98
    triethyl phosphate 246.89
    4-methyl-2-pentanol 68.65
    propionitrile 222.53
    vinylene carbonate 996.71
    1,1,2-trichlorotrifluoroethane 1011.41
    DMS 540.49
    cumene 76.12
    2-octanol 84.28
    2-hexanone 341.24
    octyl acetate 210.23
    limonene 121.03
    1,2-dimethoxyethane 408.19
    ethyl orthosilicate 206.16
    tributyl phosphate 153.96
    diacetone alcohol 415.27
    N,N-dimethylaniline 181.16
    acrylonitrile 312.01
    aniline 232.95
    1,3-propanediol 104.29
    bromobenzene 442.02
    dibromomethane 669.76
    1,1,2,2-tetrachloroethane 1261.62
    2-methyl-cyclohexyl acetate 267.11
    tetrabutyl urea 207.18
    diisobutyl methanol 44.91
    2-phenylethanol 132.84
    styrene 137.6
    dioctyl adipate 260.71
    dimethyl sulfate 1160.27
    ethyl butyrate 348.4
    methyl lactate 396.74
    butyl lactate 368.12
    diethyl carbonate 254.69
    propanediol butyl ether 209.12
    triethyl orthoformate 265.62
    p-tert-butyltoluene 68.33
    methyl 4-tert-butylbenzoate 458.09
    morpholine 531.28
    tert-butylamine 66.19
    n-dodecanol 41.93
    dimethoxymethane 452.38
    ethylene carbonate 874.39
    cyrene 383.79
    2-ethoxyethyl acetate 718.37
    2-ethylhexyl acetate 269.35
    1,2,4-trichlorobenzene 680.19
    4-methylpyridine 560.22
    dibutyl ether 151.5
    2,6-dimethyl-4-heptanol 44.91
    DEF 745.8
    dimethyl isosorbide 490.85
    tetrachloroethylene 798.53
    eugenol 305.08
    triacetin 781.55
    span 80 222.07
    1,4-butanediol 62.62
    1,1-dichloroethane 667.85
    2-methyl-1-pentanol 124.97
    methyl formate 406.79
    2-methyl-1-butanol 135.76
    n-decane 18.74
    butyronitrile 183.51
    3,7-dimethyl-1-octanol 87.3
    1-chlorooctane 99.87
    1-chlorotetradecane 32.64
    n-nonane 17.2
    undecane 11.64
    tert-butylcyclohexane 22.85
    cyclooctane 23.42
    cyclopentanol 286.46
    tetrahydropyran 455.07
    tert-amyl methyl ether 267.23
    2,5,8-trioxanonane 381.94
    1-hexene 76.02
    2-isopropoxyethanol 214.88
    2,2,2-trifluoroethanol 523.62
    methyl butyrate 614.26

    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