Monomethyltin tris(isooctyl mercaptoacetate)

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  • Identifiers

    CAS number
    54849-38-6

    Molecular formula
    C31H60O6S3Sn

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 33.92%
    Tropical 32.3%
    Sulfurous 30.67%
    Herbal 29.44%
    Savory 27.82%
    Peach 26.58%
    Grapefruit 25.61%
    Mint 24.75%
    Meaty 24.73%
    Fresh 24.0%

     

    Flavor
    Green 30.99%
    Bland 26.1%
    Mild 24.65%
    Tropical 22.85%
    Oily 22.52%
    Fruity 20.35%
    Carrot 20.28%
    Beer 20.13%
    Acrid 20.13%
    Green pepper 19.89%

     

  • Properties

    pKa est.
    7.61 (neutral)

    Molecular weight
    743.7 g/mol

    Flash point

    • 304.87 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • Methyltin tris(isooctyl mercaptoacetate)
    • Triisooctyl 2,2',2''-[(methylstannylidyne)tris(thio)]triacetate
    • Methyltin tris(isooctyl thioglycolate)
    • RQP1D1LV9A
    • CCRIS 6070
    • HSDB 6101
    • EINECS 259-374-0
    • Stannane, tris(((isooctylthio)acetyl)oxy)methyl-
    • MONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE)
    • Monomethyltin tris(isooctyl thioglycolate)
    • Stannane methyltris((carboxymethyl)thio)tris isooctyl ester
    • MONOMETHYLTIN TRIS(ISOOCTYLMERCAPTOACETATE)
    • Methyltin S,S',S''-tris(isooctyl mercaptoacetate)
    • Acetic acid, 2,2',2''-((methylstannylidyne)tris(thio))tris-, triisooctyl ester
    • MONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE) [HSDB]
    • Triisooctyl 2,2',2''-((methylstannylidyne)tris(thio))triacetate
    • Acetic acid, 2,2',2''-((methylstannylidyne)tris(thio))tris-, 1,1',1''-triisooctyl ester
    • Acetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, triisooctyl ester
    • 2,2',2''-((METHYLSTANNYLIDYNE)TRIS(THIO))TRISACETIC ACID TRIISOOCTYL ESTER
    • 2,2',2''-[(METHYLSTANNYLIDYNE)TRIS(THIO)]TRISACETIC ACID TRIISOOCTYL ESTER
    • Acetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triisooctyl ester
    • 6-methylheptyl 2-((methylbis((2-((6-methylheptyl)oxy)-2-oxoethyl)sulfanyl)stannyl)sulfanyl)acetate
    • 6-methylheptyl 2-{[methylbis({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)stannyl]sulfanyl}acetate
    • RefChem:819339
    • DTXSID9025667
    • DTXCID001323362
    • Methyltin-tris(isooctylmercaptoacetate)
    • MONOMETHYLTIN ISOOCTYL THIOGLYCOLATE
    • Monomethyltin tris(isooctyl mercaptoacetic acid)
    • Stannane, tris(((isooctylthio)acetyl)oxy)methyl
    • Methyltin S,S',S''tris(isooctyl mercaptoacetate)
    • Acetic acid, 2,2',2''((methylstannylidyne)tris(thio))tris, triisooctyl ester
    • 54849-38-6
    • 6-methylheptyl 2-[methyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
    • tris(6-methylheptyl) 2,2',2''-((methylstannanetriyl)tris(sulfanediyl))triacetate
    • UNII-RQP1D1LV9A
    • DTXSID40881198
    • NS00059345
    • 849T386
    • Q27288253
    • TRIISOOCTYL 2,2',2''- ((METHYLSTANNYLIDYNE)TRIS(THIO))TRIACETATE
    • ACETIC ACID, 2,2',2''-((METHYLSTANNYLIDYNE)TRIS(THIO))TRIS- , TRIISOOCTYL ESTER
    • Tris(6-methylheptyl) 2,2',2''-((Methylstannanetriyl)tris(sulfanediyl))triacetate;
    • 6-Methylheptyl 4,14-dimethyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate
    • ACETIC ACID, 2,2',2''-((METHYLSTANNYLIDYNE)TRIS(THIO))TRIS- , 1,1',1''-TRIISOOCTYL ESTER
    • 54849-38-6

  • Applications

    Monomethyltin tris(isooctyl mercaptoacetate) (CAS number: 54849-38-6) is an organotin compound that finds use primarily as a heat stabilizer for PVC and other halogenated polymers, helping suppress acid formation during high-temperature processing. It is also employed as a catalyst or processing aid in polymer formulations and curing systems (notably in polyurethane and epoxy systems), and as an intermediate in the preparation of tin-containing organometallics. Additionally, it can function as a coupling or adhesion-promoting additive in coatings and adhesive formulations to improve substrate bonding. Its use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.18
    methanol 4.96
    isopropanol 6.2
    water 0.02
    ethyl acetate 39.99
    n-propanol 10.29
    acetone 40.46
    n-butanol 9.43
    acetonitrile 11.48
    DMF 112.89
    toluene 30.71
    isobutanol 8.46
    1,4-dioxane 51.47
    methyl acetate 31.36
    THF 196.3
    2-butanone 48.9
    n-pentanol 13.41
    sec-butanol 11.01
    n-hexane 2.68
    ethylene glycol 0.82
    NMP 289.69
    cyclohexane 5.42
    DMSO 53.15
    n-butyl acetate 47.49
    n-octanol 20.01
    chloroform 216.64
    n-propyl acetate 50.62
    acetic acid 26.64
    dichloromethane 165.02
    cyclohexanone 131.26
    propylene glycol 3.32
    isopropyl acetate 40.09
    DMAc 215.79
    2-ethoxyethanol 32.38
    isopentanol 10.15
    n-heptane 3.16
    ethyl formate 22.03
    1,2-dichloroethane 74.12
    n-hexanol 11.02
    2-methoxyethanol 25.52
    isobutyl acetate 41.51
    tetrachloromethane 24.59
    n-pentyl acetate 84.32
    transcutol 149.08
    n-heptanol 16.03
    ethylbenzene 21.49
    MIBK 37.72
    2-propoxyethanol 38.25
    tert-butanol 10.98
    MTBE 25.28
    2-butoxyethanol 50.01
    propionic acid 17.47
    o-xylene 22.42
    formic acid 6.01
    diethyl ether 18.54
    m-xylene 22.32
    p-xylene 29.93
    chlorobenzene 55.42
    dimethyl carbonate 23.84
    n-octane 2.19
    formamide 13.0
    cyclopentanone 188.69
    2-pentanone 47.17
    anisole 52.51
    cyclopentyl methyl ether 85.49
    gamma-butyrolactone 176.12
    1-methoxy-2-propanol 32.03
    pyridine 78.17
    3-pentanone 44.04
    furfural 144.03
    n-dodecane 1.57
    diethylene glycol 12.37
    diisopropyl ether 9.84
    tert-amyl alcohol 16.79
    acetylacetone 74.75
    n-hexadecane 1.89
    acetophenone 73.34
    methyl propionate 40.92
    isopentyl acetate 48.71
    trichloroethylene 225.9
    n-nonanol 21.65
    cyclohexanol 20.5
    benzyl alcohol 32.02
    2-ethylhexanol 13.8
    isooctanol 16.6
    dipropyl ether 25.53
    1,2-dichlorobenzene 67.44
    ethyl lactate 27.03
    propylene carbonate 97.91
    n-methylformamide 26.85
    2-pentanol 8.8
    n-pentane 1.69
    1-propoxy-2-propanol 43.34
    1-methoxy-2-propyl acetate 71.15
    2-(2-methoxypropoxy) propanol 58.87
    mesitylene 14.04
    ε-caprolactone 131.6
    p-cymene 17.16
    epichlorohydrin 168.75
    1,1,1-trichloroethane 103.33
    2-aminoethanol 4.01
    morpholine-4-carbaldehyde 160.49
    sulfolane 273.57
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 105.18
    n-hexyl acetate 81.31
    isooctane 1.29
    2-(2-butoxyethoxy)ethanol 66.88
    sec-butyl acetate 42.66
    tert-butyl acetate 60.74
    decalin 4.42
    glycerin 5.74
    diglyme 139.39
    acrylic acid 15.39
    isopropyl myristate 27.12
    n-butyric acid 31.86
    acetyl acetate 36.79
    di(2-ethylhexyl) phthalate 30.09
    ethyl propionate 43.44
    nitromethane 68.48
    1,2-diethoxyethane 60.61
    benzonitrile 42.39
    trioctyl phosphate 20.33
    1-bromopropane 38.61
    gamma-valerolactone 245.3
    n-decanol 13.6
    triethyl phosphate 30.3
    4-methyl-2-pentanol 7.83
    propionitrile 14.14
    vinylene carbonate 77.96
    1,1,2-trichlorotrifluoroethane 117.75
    DMS 48.6
    cumene 15.25
    2-octanol 15.67
    2-hexanone 58.13
    octyl acetate 34.88
    limonene 24.31
    1,2-dimethoxyethane 70.03
    ethyl orthosilicate 30.1
    tributyl phosphate 25.96
    diacetone alcohol 53.1
    N,N-dimethylaniline 46.86
    acrylonitrile 17.64
    aniline 28.09
    1,3-propanediol 6.46
    bromobenzene 69.88
    dibromomethane 95.04
    1,1,2,2-tetrachloroethane 196.76
    2-methyl-cyclohexyl acetate 59.55
    tetrabutyl urea 46.44
    diisobutyl methanol 10.19
    2-phenylethanol 29.29
    styrene 25.39
    dioctyl adipate 47.06
    dimethyl sulfate 62.12
    ethyl butyrate 47.77
    methyl lactate 22.73
    butyl lactate 60.99
    diethyl carbonate 27.66
    propanediol butyl ether 41.62
    triethyl orthoformate 45.48
    p-tert-butyltoluene 18.09
    methyl 4-tert-butylbenzoate 90.75
    morpholine 73.9
    tert-butylamine 6.95
    n-dodecanol 8.81
    dimethoxymethane 54.25
    ethylene carbonate 57.39
    cyrene 86.56
    2-ethoxyethyl acetate 102.51
    2-ethylhexyl acetate 45.65
    1,2,4-trichlorobenzene 92.72
    4-methylpyridine 86.63
    dibutyl ether 33.13
    2,6-dimethyl-4-heptanol 10.19
    DEF 69.03
    dimethyl isosorbide 159.76
    tetrachloroethylene 86.36
    eugenol 71.97
    triacetin 100.81
    span 80 57.68
    1,4-butanediol 4.35
    1,1-dichloroethane 71.54
    2-methyl-1-pentanol 14.87
    methyl formate 22.68
    2-methyl-1-butanol 11.02
    n-decane 3.68
    butyronitrile 16.57
    3,7-dimethyl-1-octanol 19.84
    1-chlorooctane 20.47
    1-chlorotetradecane 6.23
    n-nonane 3.26
    undecane 2.29
    tert-butylcyclohexane 3.89
    cyclooctane 2.47
    cyclopentanol 29.49
    tetrahydropyran 66.44
    tert-amyl methyl ether 31.38
    2,5,8-trioxanonane 84.48
    1-hexene 11.07
    2-isopropoxyethanol 30.04
    2,2,2-trifluoroethanol 16.7
    methyl butyrate 58.07

    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