Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate

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  • Identifiers

    CAS number
    26401-86-5

    Molecular formula
    C38H74O6S3Sn

    SMILES
    CCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 30.38%
    Herbal 28.7%
    Oily 26.29%
    Savory 25.8%
    Tropical 25.54%
    Waxy 25.32%
    Fatty 25.21%
    Peach 24.68%
    Fresh 24.59%
    Sweet 24.42%

     

    Flavor
    Bland 30.55%
    Mild 27.97%
    Oily 24.2%
    Green 23.07%
    Slightly waxy 20.86%
    Beer 20.55%
    Waxy 20.46%
    Delicate 20.3%
    Bay oil 20.12%
    Carrot 20.04%

     

  • Properties

    pKa est.
    8.15 (weak base)

    Molecular weight
    841.9 g/mol

    Flash point

    • 318.81 ˚C est.

  • Synonyms

    • DTXSID7029748
    • Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate
    • Triisooctyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate
    • Acetic acid, 2,2',2''-((octylstannylidyne)tris(thio))tris-, triisooctyl ester
    • Acetic acid, 2,2',2''-[(octylstannylidyne)tris(thio)]tris-, triisooctyl ester
    • RefChem:899672
    • DTXCID709748
    • 247-665-5
    • 26401-86-5
    • Monooctyltin Tris(isooctyl mercaptoacetate)
    • EINECS 247-665-5
    • Monooctyltin tris(isooctylthioglycollate)
    • 6-Methylheptyl2-[bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate
    • NS00051293
    • 6-Methylheptyl 14-methyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate
    • 26401-86-5

  • Applications

    Triisooctyl 2,2',2''-((octylstannylidyne)tris(thio))triacetate, CAS 26401-86-5, is primarily used as an intermediate in organotin chemistry and as a precursor for tin-containing compounds; in industrial settings it may function as a catalyst precursor for polymerization processes and as a stabilizing or crosslinking component in coatings, inks, and plastics formulations, leveraging its tin-centered framework and thioacetate ligands. It is commonly evaluated for synthesis of tin-based materials and can serve as a functional additive in advanced materials research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.95
    methanol 11.35
    isopropanol 13.93
    water 0.04
    ethyl acetate 111.88
    n-propanol 23.03
    acetone 98.29
    n-butanol 21.01
    acetonitrile 28.67
    DMF 286.26
    toluene 78.25
    isobutanol 19.79
    1,4-dioxane 107.65
    methyl acetate 83.81
    THF 392.73
    2-butanone 117.88
    n-pentanol 26.52
    sec-butanol 25.67
    n-hexane 5.79
    ethylene glycol 1.87
    NMP 709.79
    cyclohexane 12.59
    DMSO 118.56
    n-butyl acetate 99.44
    n-octanol 32.3
    chloroform 482.87
    n-propyl acetate 112.47
    acetic acid 63.48
    dichloromethane 397.2
    cyclohexanone 316.99
    propylene glycol 7.43
    isopropyl acetate 104.5
    DMAc 539.57
    2-ethoxyethanol 63.42
    isopentanol 22.39
    n-heptane 5.9
    ethyl formate 53.24
    1,2-dichloroethane 188.26
    n-hexanol 20.36
    2-methoxyethanol 57.77
    isobutyl acetate 84.12
    tetrachloromethane 60.21
    n-pentyl acetate 179.36
    transcutol 269.41
    n-heptanol 28.57
    ethylbenzene 45.5
    MIBK 84.35
    2-propoxyethanol 71.21
    tert-butanol 23.29
    MTBE 59.18
    2-butoxyethanol 91.47
    propionic acid 45.58
    o-xylene 53.62
    formic acid 14.42
    diethyl ether 44.08
    m-xylene 54.87
    p-xylene 61.96
    chlorobenzene 133.95
    dimethyl carbonate 70.87
    n-octane 3.79
    formamide 31.42
    cyclopentanone 447.5
    2-pentanone 115.12
    anisole 112.84
    cyclopentyl methyl ether 200.64
    gamma-butyrolactone 434.41
    1-methoxy-2-propanol 74.53
    pyridine 182.69
    3-pentanone 107.85
    furfural 334.29
    n-dodecane 2.4
    diethylene glycol 24.39
    diisopropyl ether 23.18
    tert-amyl alcohol 38.86
    acetylacetone 203.64
    n-hexadecane 2.91
    acetophenone 160.83
    methyl propionate 115.01
    isopentyl acetate 100.34
    trichloroethylene 564.8
    n-nonanol 34.12
    cyclohexanol 45.72
    benzyl alcohol 64.6
    2-ethylhexanol 24.96
    isooctanol 29.65
    dipropyl ether 50.22
    1,2-dichlorobenzene 164.21
    ethyl lactate 57.85
    propylene carbonate 239.97
    n-methylformamide 69.79
    2-pentanol 21.01
    n-pentane 4.0
    1-propoxy-2-propanol 79.13
    1-methoxy-2-propyl acetate 155.89
    2-(2-methoxypropoxy) propanol 97.47
    mesitylene 33.56
    ε-caprolactone 312.58
    p-cymene 31.48
    epichlorohydrin 396.07
    1,1,1-trichloroethane 272.49
    2-aminoethanol 8.92
    morpholine-4-carbaldehyde 378.06
    sulfolane 659.14
    2,2,4-trimethylpentane 5.11
    2-methyltetrahydrofuran 232.38
    n-hexyl acetate 163.73
    isooctane 2.79
    2-(2-butoxyethoxy)ethanol 110.06
    sec-butyl acetate 95.21
    tert-butyl acetate 147.1
    decalin 9.1
    glycerin 13.19
    diglyme 254.07
    acrylic acid 40.34
    isopropyl myristate 48.64
    n-butyric acid 80.31
    acetyl acetate 105.92
    di(2-ethylhexyl) phthalate 53.66
    ethyl propionate 102.08
    nitromethane 192.31
    1,2-diethoxyethane 110.35
    benzonitrile 90.93
    trioctyl phosphate 35.7
    1-bromopropane 89.25
    gamma-valerolactone 600.74
    n-decanol 20.64
    triethyl phosphate 62.2
    4-methyl-2-pentanol 16.97
    propionitrile 34.01
    vinylene carbonate 193.32
    1,1,2-trichlorotrifluoroethane 283.76
    DMS 122.81
    cumene 30.42
    2-octanol 27.56
    2-hexanone 114.19
    octyl acetate 62.67
    limonene 48.32
    1,2-dimethoxyethane 131.66
    ethyl orthosilicate 60.69
    tributyl phosphate 46.88
    diacetone alcohol 118.92
    N,N-dimethylaniline 90.68
    acrylonitrile 45.4
    aniline 64.47
    1,3-propanediol 14.75
    bromobenzene 178.34
    dibromomethane 222.39
    1,1,2,2-tetrachloroethane 484.72
    2-methyl-cyclohexyl acetate 115.73
    tetrabutyl urea 79.74
    diisobutyl methanol 18.61
    2-phenylethanol 52.52
    styrene 57.19
    dioctyl adipate 86.59
    dimethyl sulfate 187.9
    ethyl butyrate 101.0
    methyl lactate 59.48
    butyl lactate 123.32
    diethyl carbonate 59.68
    propanediol butyl ether 74.14
    triethyl orthoformate 91.99
    p-tert-butyltoluene 33.34
    methyl 4-tert-butylbenzoate 180.56
    morpholine 157.3
    tert-butylamine 14.95
    n-dodecanol 13.06
    dimethoxymethane 129.63
    ethylene carbonate 145.36
    cyrene 161.76
    2-ethoxyethyl acetate 223.39
    2-ethylhexyl acetate 95.58
    1,2,4-trichlorobenzene 233.49
    4-methylpyridine 206.42
    dibutyl ether 57.46
    2,6-dimethyl-4-heptanol 18.61
    DEF 175.97
    dimethyl isosorbide 271.61
    tetrachloroethylene 213.39
    eugenol 128.81
    triacetin 223.0
    span 80 97.75
    1,4-butanediol 8.76
    1,1-dichloroethane 186.51
    2-methyl-1-pentanol 29.71
    methyl formate 58.83
    2-methyl-1-butanol 26.23
    n-decane 5.78
    butyronitrile 38.3
    3,7-dimethyl-1-octanol 32.81
    1-chlorooctane 34.25
    1-chlorotetradecane 9.94
    n-nonane 5.26
    undecane 3.49
    tert-butylcyclohexane 7.71
    cyclooctane 5.61
    cyclopentanol 63.99
    tetrahydropyran 143.9
    tert-amyl methyl ether 72.81
    2,5,8-trioxanonane 141.01
    1-hexene 22.87
    2-isopropoxyethanol 56.66
    2,2,2-trifluoroethanol 40.77
    methyl butyrate 136.33

    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