Hexanoic acid, 2-ethyl-, 1,1',1''-(butylstannylidyne) ester

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  • Identifiers

    CAS number
    23850-94-4

    Molecular formula
    C28H54O6Sn

    SMILES
    CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 54.82%
    Fruity 52.9%
    Oily 39.52%
    Woody 33.17%
    Fatty 29.48%
    Floral 25.77%
    Odorless 25.38%
    Fresh 23.57%
    Waxy 22.35%
    Mint 22.22%

     

    Flavor
    Fruity 54.38%
    Waxy 38.67%
    Green 36.73%
    Oily 29.97%
    Mild 26.61%
    Fatty 25.16%
    Apple 24.92%
    Berry 24.05%
    Tropical 23.97%
    Wine 23.02%

     

  • Properties

    pKa est.
    7.96 (neutral)

    Molecular weight
    605.4 g/mol

    Flash point

    • 226.84 ˚C est.

  • Synonyms

    • Stannane, butyltris((2-ethyl-1-oxohexyl)oxy)-
    • Fascat 4102
    • Fascat 9201
    • Butyltin tris(2-ethylhexoate)
    • EINECS 245-912-1
    • Butyltris((2-ethyl-1-oxohexyl)oxy)stannane
    • Stannane, butyltris((2-ethylhexanoyl)oxy)-
    • Stannane, butyltris[(2-ethyl-1-oxohexyl)oxy]-
    • Hexanoic acid, 2-ethyl-, 1,1',1''-(butylstannylidyne) ester
    • BUTYLTRIS[(2-ETHYL-1-OXOHEXYL)OXY]STANNANE
    • RefChem:787291
    • Stannane, butyltris((2-ethylhexanoyl)oxy)-(8CI)
    • 245-912-1
    • 23850-94-4
    • [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
    • n-Butyltris(2-ethylhexanoate)tin
    • SCHEMBL18222694
    • MFCD00015260
    • AKOS015909591
    • Butyltin tris(2-ethylhexanoate), 95%
    • NS00050896
    • A816938
    • 2-ethylhexanoic acid [butyl-bis(2-ethyl-1-oxohexoxy)stannyl] ester
    • 23850-94-4

  • Applications

    Chemical name: Hexanoic acid, 2-ethyl-, 1,1',1''-(butylstannylidyne) ester; CAS number: 23850-94-4. As an organotin ester with a butylstannylidyne moiety, this compound is typically used as an intermediate in the synthesis and modification of organotin reagents, serving as a building block or ligand precursor for polymerization catalysts and related systems. In materials and coatings, it may act as a crosslinking or functional additive for specialty polymers, coatings, and adhesives. It is also employed as a research reagent in organometallic chemistry and materials science, enabling exploration of tin-containing architectures and surface modifications. In plastics processing, it may be a precursor to tin-based stabilizers or processing aids, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1274.18
    methanol 978.82
    isopropanol 1263.77
    water 9.35
    ethyl acetate 4555.17
    n-propanol 1520.39
    acetone 5081.3
    n-butanol 1409.18
    acetonitrile 2289.24
    DMF 9729.88
    toluene 4997.82
    isobutanol 1399.38
    1,4-dioxane 4162.66
    methyl acetate 3843.58
    THF 9565.98
    2-butanone 4681.71
    n-pentanol 1038.34
    sec-butanol 1633.75
    n-hexane 530.65
    ethylene glycol 321.44
    NMP 20712.91
    cyclohexane 1577.35
    DMSO 5604.02
    n-butyl acetate 2965.12
    n-octanol 841.83
    chloroform 13358.36
    n-propyl acetate 2560.56
    acetic acid 3386.5
    dichloromethane 12543.71
    cyclohexanone 10022.34
    propylene glycol 667.73
    isopropyl acetate 3824.83
    DMAc 11924.3
    2-ethoxyethanol 1567.99
    isopentanol 1327.78
    n-heptane 353.44
    ethyl formate 2257.3
    1,2-dichloroethane 8789.55
    n-hexanol 982.15
    2-methoxyethanol 2622.74
    isobutyl acetate 1801.57
    tetrachloromethane 2844.1
    n-pentyl acetate 3639.68
    transcutol 3892.29
    n-heptanol 874.65
    ethylbenzene 1762.42
    MIBK 3040.77
    2-propoxyethanol 1923.48
    tert-butanol 1452.76
    MTBE 2422.37
    2-butoxyethanol 1778.57
    propionic acid 2529.34
    o-xylene 3122.04
    formic acid 1117.27
    diethyl ether 2501.12
    m-xylene 3246.22
    p-xylene 2497.56
    chlorobenzene 6713.33
    dimethyl carbonate 3420.24
    n-octane 193.15
    formamide 2150.53
    cyclopentanone 12279.95
    2-pentanone 4596.33
    anisole 2805.72
    cyclopentyl methyl ether 6874.72
    gamma-butyrolactone 12858.36
    1-methoxy-2-propanol 2617.29
    pyridine 7975.02
    3-pentanone 4392.11
    furfural 9901.72
    n-dodecane 115.05
    diethylene glycol 984.13
    diisopropyl ether 1256.19
    tert-amyl alcohol 1787.87
    acetylacetone 6594.73
    n-hexadecane 136.43
    acetophenone 3740.33
    methyl propionate 4598.69
    isopentyl acetate 2686.05
    trichloroethylene 18967.78
    n-nonanol 833.21
    cyclohexanol 3125.59
    benzyl alcohol 2013.82
    2-ethylhexanol 880.81
    isooctanol 825.64
    dipropyl ether 1424.07
    1,2-dichlorobenzene 6597.01
    ethyl lactate 1254.26
    propylene carbonate 7309.5
    n-methylformamide 3773.32
    2-pentanol 1358.65
    n-pentane 585.75
    1-propoxy-2-propanol 1661.12
    1-methoxy-2-propyl acetate 3494.91
    2-(2-methoxypropoxy) propanol 1498.31
    mesitylene 1961.08
    ε-caprolactone 9067.12
    p-cymene 998.35
    epichlorohydrin 11894.24
    1,1,1-trichloroethane 9813.42
    2-aminoethanol 807.57
    morpholine-4-carbaldehyde 10090.12
    sulfolane 16744.28
    2,2,4-trimethylpentane 467.98
    2-methyltetrahydrofuran 7539.86
    n-hexyl acetate 3642.28
    isooctane 259.75
    2-(2-butoxyethoxy)ethanol 1837.11
    sec-butyl acetate 2242.98
    tert-butyl acetate 4062.15
    decalin 651.52
    glycerin 951.5
    diglyme 3916.69
    acrylic acid 2684.71
    isopropyl myristate 1189.36
    n-butyric acid 3738.71
    acetyl acetate 4116.67
    di(2-ethylhexyl) phthalate 1203.94
    ethyl propionate 2836.74
    nitromethane 7283.55
    1,2-diethoxyethane 2136.81
    benzonitrile 3472.85
    trioctyl phosphate 884.98
    1-bromopropane 4620.63
    gamma-valerolactone 13496.87
    n-decanol 565.14
    triethyl phosphate 1285.05
    4-methyl-2-pentanol 869.93
    propionitrile 2108.02
    vinylene carbonate 6362.78
    1,1,2-trichlorotrifluoroethane 7527.52
    DMS 3910.06
    cumene 1084.59
    2-octanol 818.02
    2-hexanone 2488.89
    octyl acetate 1604.86
    limonene 1860.86
    1,2-dimethoxyethane 2968.95
    ethyl orthosilicate 1217.98
    tributyl phosphate 1111.8
    diacetone alcohol 3184.19
    N,N-dimethylaniline 2300.85
    acrylonitrile 2848.64
    aniline 3789.72
    1,3-propanediol 1110.3
    bromobenzene 8080.18
    dibromomethane 8237.7
    1,1,2,2-tetrachloroethane 14731.85
    2-methyl-cyclohexyl acetate 2181.6
    tetrabutyl urea 1651.49
    diisobutyl methanol 583.74
    2-phenylethanol 1775.05
    styrene 2395.15
    dioctyl adipate 1744.95
    dimethyl sulfate 6361.15
    ethyl butyrate 2154.05
    methyl lactate 2483.26
    butyl lactate 2104.89
    diethyl carbonate 1426.62
    propanediol butyl ether 1364.31
    triethyl orthoformate 1639.96
    p-tert-butyltoluene 968.18
    methyl 4-tert-butylbenzoate 3166.27
    morpholine 5886.58
    tert-butylamine 1086.03
    n-dodecanol 412.32
    dimethoxymethane 4625.62
    ethylene carbonate 5219.95
    cyrene 2312.07
    2-ethoxyethyl acetate 3987.12
    2-ethylhexyl acetate 2496.56
    1,2,4-trichlorobenzene 8089.09
    4-methylpyridine 8402.97
    dibutyl ether 1350.56
    2,6-dimethyl-4-heptanol 583.74
    DEF 6779.38
    dimethyl isosorbide 3399.64
    tetrachloroethylene 8888.65
    eugenol 2121.47
    triacetin 3676.69
    span 80 1676.85
    1,4-butanediol 484.97
    1,1-dichloroethane 7863.94
    2-methyl-1-pentanol 1088.62
    methyl formate 2987.03
    2-methyl-1-butanol 1539.45
    n-decane 226.62
    butyronitrile 2142.41
    3,7-dimethyl-1-octanol 884.87
    1-chlorooctane 1115.05
    1-chlorotetradecane 392.15
    n-nonane 218.52
    undecane 153.09
    tert-butylcyclohexane 459.17
    cyclooctane 654.94
    cyclopentanol 3483.5
    tetrahydropyran 5772.77
    tert-amyl methyl ether 2665.62
    2,5,8-trioxanonane 2284.99
    1-hexene 1233.97
    2-isopropoxyethanol 1220.98
    2,2,2-trifluoroethanol 2182.21
    methyl butyrate 3466.11

    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