Diisooctyl 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxoisocrotonate)

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  • Identifiers

    CAS number
    33568-99-9

    Molecular formula
    C40H72O8Sn

    SMILES
    CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)CCCCCCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 39.0%
    Odorless 38.62%
    Oily 36.89%
    Floral 34.59%
    Fresh 27.64%
    Waxy 27.51%
    Balsamic 26.5%
    Lactonic 25.5%
    Green 24.33%
    Fatty 23.43%

     

    Flavor
    Fruity 32.99%
    Waxy 32.01%
    Oily 31.21%
    Bland 26.32%
    Mild 25.29%
    Fatty 23.75%
    Green 22.48%
    Odorless 21.89%
    Beer 20.1%
    Bay oil 19.96%

     

  • Properties

    pKa est.
    7.4 (neutral)

    Molecular weight
    799.7 g/mol

    Flash point

    • 266.17 ˚C est.

  • Synonyms

    • Diisooctyl 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxoisocrotonate)
    • Diisooctyl 4,4'-[(dioctylstannylene)bis(oxy)]bis[4-oxoisocrotonate]
    • 2-Butenedioic acid (2Z)-, 1,1'-(dioctylstannylene) 4,4'-diisooctyl ester
    • RefChem:587840
    • 251-576-7
    • 33568-99-9
    • 2-Butenoic acid, 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxo-, diisooctyl ester, (2Z,2'Z)-
    • 4-O-[[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(6-methylheptyl) (E)-but-2-enedioate
    • 2-Butenoic acid, 4,4'-[(dioctylstannylene)bis(oxy)]bis[4-oxo-, diisooctyl ester, (2Z,2'Z)-
    • Dioctylbis(isooctyl maleate)tin
    • Dioctyltinbis(isooctyl maleate)
    • EINECS 251-576-7
    • Stannane, bis(isooctyloxymaleoyloxy)dioctyl-
    • 2-Butanoic acid, 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxo-, diisooctyl ester, (Z,Z)-
    • DTXSID4067773
    • SCHEMBL31426971
    • Stannane, bis((3-carboxyacryloyl)oxy)dioctyl-, diisooctyl ester, (Z,Z)-
    • 6-Methylheptyl 18-methyl-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannanonadeca-2,9-dien-1-oate
    • 33568-99-9

  • Applications

    Chemical name: Diisooctyl 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxoisocrotonate); CAS number: 33568-99-9. This organotin ester is typically used as a heat stabilizer and processing aid for plastics and polymers such as PVC, helping to suppress thermal degradation during processing; it can act as a crosslinking agent or bonding component in coatings and adhesives to enhance film formation and durability; it is also employed as an intermediate in organotin chemistry for specialty polymers and materials and, depending on formulation and regulation, may serve as a precursor for tin-based catalysts or co-catalysts in polymerization or related manufacturing steps.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.13
    methanol 19.11
    isopropanol 22.76
    water 0.11
    ethyl acetate 200.71
    n-propanol 37.62
    acetone 148.71
    n-butanol 35.18
    acetonitrile 56.36
    DMF 373.38
    toluene 127.1
    isobutanol 31.88
    1,4-dioxane 116.4
    methyl acetate 169.01
    THF 422.31
    2-butanone 205.78
    n-pentanol 32.31
    sec-butanol 45.0
    n-hexane 10.41
    ethylene glycol 4.13
    NMP 1182.31
    cyclohexane 21.0
    DMSO 227.63
    n-butyl acetate 129.26
    n-octanol 25.61
    chloroform 827.44
    n-propyl acetate 137.77
    acetic acid 118.8
    dichloromethane 773.56
    cyclohexanone 432.26
    propylene glycol 13.73
    isopropyl acetate 162.14
    DMAc 798.38
    2-ethoxyethanol 68.54
    isopentanol 34.46
    n-heptane 7.35
    ethyl formate 96.58
    1,2-dichloroethane 385.28
    n-hexanol 25.69
    2-methoxyethanol 82.72
    isobutyl acetate 84.27
    tetrachloromethane 124.59
    n-pentyl acetate 157.92
    transcutol 221.14
    n-heptanol 25.87
    ethylbenzene 64.32
    MIBK 117.41
    2-propoxyethanol 77.05
    tert-butanol 30.77
    MTBE 82.42
    2-butoxyethanol 81.07
    propionic acid 99.31
    o-xylene 96.47
    formic acid 33.39
    diethyl ether 66.62
    m-xylene 80.84
    p-xylene 76.73
    chlorobenzene 237.18
    dimethyl carbonate 135.07
    n-octane 4.03
    formamide 63.04
    cyclopentanone 615.81
    2-pentanone 180.66
    anisole 134.37
    cyclopentyl methyl ether 247.63
    gamma-butyrolactone 683.85
    1-methoxy-2-propanol 98.03
    pyridine 268.85
    3-pentanone 189.53
    furfural 476.01
    n-dodecane 2.44
    diethylene glycol 29.67
    diisopropyl ether 32.54
    tert-amyl alcohol 60.03
    acetylacetone 310.65
    n-hexadecane 2.97
    acetophenone 211.22
    methyl propionate 216.75
    isopentyl acetate 117.68
    trichloroethylene 1060.95
    n-nonanol 27.17
    cyclohexanol 73.21
    benzyl alcohol 78.62
    2-ethylhexanol 26.81
    isooctanol 25.56
    dipropyl ether 53.99
    1,2-dichlorobenzene 301.91
    ethyl lactate 80.31
    propylene carbonate 400.65
    n-methylformamide 130.26
    2-pentanol 33.5
    n-pentane 8.32
    1-propoxy-2-propanol 79.76
    1-methoxy-2-propyl acetate 188.67
    2-(2-methoxypropoxy) propanol 102.09
    mesitylene 45.54
    ε-caprolactone 469.68
    p-cymene 37.12
    epichlorohydrin 596.45
    1,1,1-trichloroethane 501.76
    2-aminoethanol 15.32
    morpholine-4-carbaldehyde 458.49
    sulfolane 1017.95
    2,2,4-trimethylpentane 10.32
    2-methyltetrahydrofuran 300.6
    n-hexyl acetate 146.36
    isooctane 4.41
    2-(2-butoxyethoxy)ethanol 99.44
    sec-butyl acetate 120.55
    tert-butyl acetate 184.25
    decalin 15.49
    glycerin 23.53
    diglyme 222.67
    acrylic acid 97.86
    isopropyl myristate 45.24
    n-butyric acid 155.95
    acetyl acetate 191.79
    di(2-ethylhexyl) phthalate 57.33
    ethyl propionate 156.92
    nitromethane 330.03
    1,2-diethoxyethane 95.14
    benzonitrile 113.52
    trioctyl phosphate 35.3
    1-bromopropane 176.49
    gamma-valerolactone 694.4
    n-decanol 17.34
    triethyl phosphate 90.31
    4-methyl-2-pentanol 22.74
    propionitrile 62.75
    vinylene carbonate 327.51
    1,1,2-trichlorotrifluoroethane 475.32
    DMS 169.43
    cumene 39.97
    2-octanol 23.05
    2-hexanone 129.65
    octyl acetate 64.58
    limonene 62.79
    1,2-dimethoxyethane 133.68
    ethyl orthosilicate 77.24
    tributyl phosphate 50.06
    diacetone alcohol 149.62
    N,N-dimethylaniline 109.12
    acrylonitrile 86.68
    aniline 112.73
    1,3-propanediol 25.34
    bromobenzene 298.27
    dibromomethane 417.62
    1,1,2,2-tetrachloroethane 900.26
    2-methyl-cyclohexyl acetate 128.63
    tetrabutyl urea 84.29
    diisobutyl methanol 18.02
    2-phenylethanol 60.78
    styrene 81.0
    dioctyl adipate 93.02
    dimethyl sulfate 341.18
    ethyl butyrate 130.39
    methyl lactate 112.41
    butyl lactate 117.94
    diethyl carbonate 85.8
    propanediol butyl ether 60.96
    triethyl orthoformate 105.29
    p-tert-butyltoluene 36.14
    methyl 4-tert-butylbenzoate 195.44
    morpholine 189.58
    tert-butylamine 20.57
    n-dodecanol 11.65
    dimethoxymethane 162.84
    ethylene carbonate 247.77
    cyrene 186.37
    2-ethoxyethyl acetate 216.11
    2-ethylhexyl acetate 108.76
    1,2,4-trichlorobenzene 441.04
    4-methylpyridine 289.87
    dibutyl ether 47.55
    2,6-dimethyl-4-heptanol 18.02
    DEF 286.28
    dimethyl isosorbide 270.0
    tetrachloroethylene 428.75
    eugenol 131.86
    triacetin 247.25
    span 80 94.4
    1,4-butanediol 12.78
    1,1-dichloroethane 372.35
    2-methyl-1-pentanol 37.82
    methyl formate 109.87
    2-methyl-1-butanol 44.25
    n-decane 5.27
    butyronitrile 63.87
    3,7-dimethyl-1-octanol 29.33
    1-chlorooctane 34.45
    1-chlorotetradecane 10.56
    n-nonane 4.78
    undecane 3.39
    tert-butylcyclohexane 11.38
    cyclooctane 9.22
    cyclopentanol 93.18
    tetrahydropyran 175.87
    tert-amyl methyl ether 114.53
    2,5,8-trioxanonane 134.0
    1-hexene 34.22
    2-isopropoxyethanol 58.78
    2,2,2-trifluoroethanol 87.08
    methyl butyrate 197.35

    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