Propanoic acid, 3-[tris[[2-(isooctyloxy)-2-oxoethyl]thio]stannyl]-, butyl ester

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  • Identifiers

    CAS number
    63438-80-2

    Molecular formula
    C37H70O8S3Sn

    SMILES
    CCCCOC(=O)CC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 30.03%
    Herbal 28.5%
    Peach 26.65%
    Odorless 25.95%
    Tropical 25.83%
    Savory 24.84%
    Oily 24.61%
    Sulfurous 22.93%
    Fatty 22.43%
    Mint 22.18%

     

    Flavor
    Green 30.24%
    Fruity 28.38%
    Bland 27.13%
    Mild 26.06%
    Oily 25.21%
    Tropical 24.15%
    Waxy 22.46%
    Beer 20.57%
    Carrot 20.32%
    Slightly waxy 20.05%

     

  • Properties

    pKa est.
    7.59 (neutral)

    Molecular weight
    857.9 g/mol

    Flash point

    • 336.63 ˚C est.

  • Synonyms

    • 63438-80-2
    • EINECS 264-144-8
    • Propanoic acid, 3-[tris[[2-(isooctyloxy)-2-oxoethyl]thio]stannyl]-, butyl ester
    • DTXSID1069821
    • Propanoic acid, 3-(tris((2-(isooctyloxy)-2-oxoethyl)thio)stannyl)-, butyl ester
    • RefChem:176367
    • DTXCID0043842
    • Butyl 3-[tris[[2-(isooctyloxy)-2-oxoethyl]thio]stannyl]propionate
    • Butyl 3-(tris((2-(isooctyloxy)-2-oxoethyl)thio)stannyl)propionate
    • Tris(6-methylheptyl) 2,2',2''-(((3-Butoxy-3-oxopropyl)stannanetriyl)tris(sulfanediyl))triacetate
    • SCHEMBL28467899
    • NS00112987
    • 6-Methylheptyl 4-(3-butoxy-3-oxopropyl)-14-methyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate
    • 63438-80-2

  • Applications

    Propanoic acid, 3-[tris[[2-(isooctyloxy)-2-oxoethyl]thio]stannyl]-, butyl ester (CAS 63438-80-2) is an organotin compound commonly used as an intermediate and processing additive in industry. In polymers and plastics, it may serve as a heat stabilizer for PVC and other resins. In coatings and inks, it can act as a processing aid and stabilizer to improve processing efficiency and film formation. In adhesives and sealants, it may function as a catalyst or stabilizer during formulation and curing. In industrial manufacturing, it is used as an intermediate in organotin synthesis and as a precursor to more complex organotin compounds with specialized applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.92
    methanol 9.2
    isopropanol 8.93
    water 0.04
    ethyl acetate 54.53
    n-propanol 14.95
    acetone 57.56
    n-butanol 12.34
    acetonitrile 19.25
    DMF 178.16
    toluene 36.37
    isobutanol 11.58
    1,4-dioxane 58.81
    methyl acetate 49.29
    THF 193.59
    2-butanone 66.14
    n-pentanol 15.92
    sec-butanol 14.56
    n-hexane 2.62
    ethylene glycol 1.58
    NMP 407.91
    cyclohexane 4.27
    DMSO 66.26
    n-butyl acetate 47.24
    n-octanol 18.19
    chloroform 248.95
    n-propyl acetate 58.2
    acetic acid 44.83
    dichloromethane 210.32
    cyclohexanone 146.96
    propylene glycol 5.32
    isopropyl acetate 47.34
    DMAc 319.43
    2-ethoxyethanol 42.85
    isopentanol 11.82
    n-heptane 2.56
    ethyl formate 30.53
    1,2-dichloroethane 89.33
    n-hexanol 11.33
    2-methoxyethanol 37.84
    isobutyl acetate 40.21
    tetrachloromethane 28.23
    n-pentyl acetate 85.03
    transcutol 154.07
    n-heptanol 15.36
    ethylbenzene 21.83
    MIBK 39.06
    2-propoxyethanol 44.07
    tert-butanol 13.0
    MTBE 27.94
    2-butoxyethanol 52.39
    propionic acid 29.07
    o-xylene 25.83
    formic acid 12.58
    diethyl ether 21.45
    m-xylene 25.63
    p-xylene 31.35
    chlorobenzene 58.27
    dimethyl carbonate 42.77
    n-octane 1.75
    formamide 25.0
    cyclopentanone 217.07
    2-pentanone 57.63
    anisole 54.69
    cyclopentyl methyl ether 87.71
    gamma-butyrolactone 223.4
    1-methoxy-2-propanol 45.53
    pyridine 92.82
    3-pentanone 57.01
    furfural 177.99
    n-dodecane 1.23
    diethylene glycol 16.76
    diisopropyl ether 9.93
    tert-amyl alcohol 20.02
    acetylacetone 94.64
    n-hexadecane 1.45
    acetophenone 82.99
    methyl propionate 64.11
    isopentyl acetate 46.34
    trichloroethylene 284.97
    n-nonanol 18.7
    cyclohexanol 22.11
    benzyl alcohol 36.32
    2-ethylhexanol 12.41
    isooctanol 15.05
    dipropyl ether 23.64
    1,2-dichlorobenzene 73.03
    ethyl lactate 33.75
    propylene carbonate 122.45
    n-methylformamide 48.65
    2-pentanol 10.8
    n-pentane 1.77
    1-propoxy-2-propanol 45.92
    1-methoxy-2-propyl acetate 78.26
    2-(2-methoxypropoxy) propanol 58.38
    mesitylene 14.63
    ε-caprolactone 150.59
    p-cymene 14.66
    epichlorohydrin 195.52
    1,1,1-trichloroethane 118.8
    2-aminoethanol 6.69
    morpholine-4-carbaldehyde 218.8
    sulfolane 328.93
    2,2,4-trimethylpentane 2.17
    2-methyltetrahydrofuran 107.32
    n-hexyl acetate 78.7
    isooctane 1.14
    2-(2-butoxyethoxy)ethanol 63.84
    sec-butyl acetate 44.24
    tert-butyl acetate 64.13
    decalin 3.54
    glycerin 9.83
    diglyme 137.73
    acrylic acid 27.56
    isopropyl myristate 23.48
    n-butyric acid 43.76
    acetyl acetate 49.5
    di(2-ethylhexyl) phthalate 29.27
    ethyl propionate 52.4
    nitromethane 126.55
    1,2-diethoxyethane 58.72
    benzonitrile 46.79
    trioctyl phosphate 18.88
    1-bromopropane 41.13
    gamma-valerolactone 307.35
    n-decanol 11.68
    triethyl phosphate 30.78
    4-methyl-2-pentanol 8.09
    propionitrile 21.57
    vinylene carbonate 106.27
    1,1,2-trichlorotrifluoroethane 154.49
    DMS 63.5
    cumene 14.64
    2-octanol 14.61
    2-hexanone 59.17
    octyl acetate 32.19
    limonene 20.98
    1,2-dimethoxyethane 78.61
    ethyl orthosilicate 29.56
    tributyl phosphate 25.1
    diacetone alcohol 59.18
    N,N-dimethylaniline 49.11
    acrylonitrile 29.69
    aniline 33.53
    1,3-propanediol 9.98
    bromobenzene 73.96
    dibromomethane 109.44
    1,1,2,2-tetrachloroethane 230.97
    2-methyl-cyclohexyl acetate 55.52
    tetrabutyl urea 43.95
    diisobutyl methanol 8.54
    2-phenylethanol 29.79
    styrene 26.91
    dioctyl adipate 44.1
    dimethyl sulfate 105.35
    ethyl butyrate 47.61
    methyl lactate 35.91
    butyl lactate 63.57
    diethyl carbonate 28.89
    propanediol butyl ether 44.15
    triethyl orthoformate 43.41
    p-tert-butyltoluene 15.58
    methyl 4-tert-butylbenzoate 98.14
    morpholine 85.33
    tert-butylamine 7.82
    n-dodecanol 7.46
    dimethoxymethane 78.31
    ethylene carbonate 74.31
    cyrene 94.39
    2-ethoxyethyl acetate 114.16
    2-ethylhexyl acetate 42.97
    1,2,4-trichlorobenzene 108.13
    4-methylpyridine 102.31
    dibutyl ether 26.72
    2,6-dimethyl-4-heptanol 8.54
    DEF 91.94
    dimethyl isosorbide 149.78
    tetrachloroethylene 108.22
    eugenol 72.75
    triacetin 114.44
    span 80 55.3
    1,4-butanediol 6.5
    1,1-dichloroethane 87.53
    2-methyl-1-pentanol 16.18
    methyl formate 39.82
    2-methyl-1-butanol 14.05
    n-decane 2.8
    butyronitrile 21.41
    3,7-dimethyl-1-octanol 16.66
    1-chlorooctane 16.02
    1-chlorotetradecane 4.83
    n-nonane 2.51
    undecane 1.76
    tert-butylcyclohexane 3.3
    cyclooctane 2.03
    cyclopentanol 34.11
    tetrahydropyran 63.45
    tert-amyl methyl ether 34.41
    2,5,8-trioxanonane 82.02
    1-hexene 11.01
    2-isopropoxyethanol 35.77
    2,2,2-trifluoroethanol 29.93
    methyl butyrate 68.89

    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