Silicic acid (H6Si2O7), Si,Si,Si,Si',Si',Si'-hexakis(3-methylpentyl) ester

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  • Identifiers

    CAS number
    126-51-2

    Molecular formula
    C36H78O7Si2

    SMILES
    CCC(C)CCO[Si](OCCC(C)CC)(OCCC(C)CC)O[Si](OCCC(C)CC)(OCCC(C)CC)OCCC(C)CC

  • Odor profile

    Fragrance
    Green 48.93%
    Floral 35.82%
    Oily 32.75%
    Herbal 30.48%
    Alcoholic 30.01%
    Fresh 27.24%
    Odorless 26.53%
    Sweet 24.86%
    Fruity 23.25%
    Rose 22.23%

     

    Flavor
    Green 44.11%
    Waxy 32.47%
    Mild 27.29%
    Oily 26.43%
    Fruity 26.06%
    Rose acetate 21.57%
    Fatty 20.91%
    Yeasty 20.83%
    Delicate 20.44%
    Beer 20.35%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.66 (neutral)

    Molecular weight
    679.2 g/mol

    Flash point

    • 162.4 ˚C est.

  • Synonyms

    • Hexakis(2-ethylbutyl) diorthosilicate
    • 126-51-2
    • Silicic acid (H6Si2O7), hexakis(2-ethylbutyl) ester
    • EINECS 204-788-9
    • Silicic acid (H6Si2O7), Si,Si,Si,Si',Si',Si'-hexakis(3-methylpentyl) ester
    • Silicic acid (H6Si2O7), hexakis(3-methylpentyl) ester
    • tris(3-methylpentyl) tris(3-methylpentoxy)silyl silicate
    • DTXSID80861772
    • YLICFGVKGAMFNE-UHFFFAOYSA-N
    • NS00041230
    • tris(3-methylpentyl) tris[(3-methylpentyl)oxy]silyl orthosilicate

  • Applications

    Silicic acid (H6Si2O7), Si,Si,Si,Si',Si',Si'-hexakis(3-methylpentyl) ester (CAS 126-51-2) is primarily used as a sol-gel precursor and silica-network builder for coatings and organic–inorganic hybrid materials. It can function as a crosslinking agent in coatings, adhesives, and sealants, enhancing hardness, chemical resistance, and thermal stability through formation of silica-like networks. It may also serve as a processing aid or plasticizer in polymer and silicone formulations to adjust rheology and flexibility. As a surface-modifying additive, it can improve hydrophobicity, wear resistance, and surface quality of coatings and plastics. Additionally, it is employed as an intermediate in organosilicon synthesis and in silica-based materials production, including potential sol-gel routes for electronics-compatible dielectric/encapsulation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1655.5
    methanol 1256.8
    isopropanol 1775.26
    water 22.88
    ethyl acetate 6064.82
    n-propanol 2153.25
    acetone 6105.76
    n-butanol 1978.17
    acetonitrile 2031.27
    DMF 11315.84
    toluene 4531.22
    isobutanol 2098.62
    1,4-dioxane 4799.92
    methyl acetate 5300.97
    THF 12965.22
    2-butanone 5812.53
    n-pentanol 1490.43
    sec-butanol 2337.6
    n-hexane 718.23
    ethylene glycol 397.21
    NMP 22899.72
    cyclohexane 1657.29
    DMSO 7939.9
    n-butyl acetate 4177.33
    n-octanol 1391.11
    chloroform 20712.88
    n-propyl acetate 3797.23
    acetic acid 5432.26
    dichloromethane 17702.92
    cyclohexanone 11141.5
    propylene glycol 930.42
    isopropyl acetate 5107.3
    DMAc 15710.53
    2-ethoxyethanol 2138.97
    isopentanol 1883.45
    n-heptane 538.43
    ethyl formate 3077.56
    1,2-dichloroethane 10960.71
    n-hexanol 1538.58
    2-methoxyethanol 3204.18
    isobutyl acetate 2941.44
    tetrachloromethane 4837.06
    n-pentyl acetate 5444.54
    transcutol 5344.75
    n-heptanol 1571.17
    ethylbenzene 1735.46
    MIBK 3664.01
    2-propoxyethanol 2736.8
    tert-butanol 2286.97
    MTBE 3667.81
    2-butoxyethanol 3076.81
    propionic acid 4281.25
    o-xylene 2940.03
    formic acid 1678.02
    diethyl ether 3058.46
    m-xylene 2785.6
    p-xylene 2713.03
    chlorobenzene 6756.79
    dimethyl carbonate 4825.2
    n-octane 313.61
    formamide 2842.87
    cyclopentanone 14736.21
    2-pentanone 5274.96
    anisole 2825.77
    cyclopentyl methyl ether 8198.49
    gamma-butyrolactone 16609.49
    1-methoxy-2-propanol 3459.96
    pyridine 7347.51
    3-pentanone 5316.48
    furfural 9790.54
    n-dodecane 180.57
    diethylene glycol 1289.77
    diisopropyl ether 1683.82
    tert-amyl alcohol 2880.61
    acetylacetone 7774.8
    n-hexadecane 211.13
    acetophenone 3855.21
    methyl propionate 6116.77
    isopentyl acetate 4012.69
    trichloroethylene 24193.72
    n-nonanol 1374.83
    cyclohexanol 3687.33
    benzyl alcohol 2010.83
    2-ethylhexanol 1362.65
    isooctanol 1470.53
    dipropyl ether 2119.88
    1,2-dichlorobenzene 7034.43
    ethyl lactate 2092.3
    propylene carbonate 10219.8
    n-methylformamide 4680.55
    2-pentanol 1892.95
    n-pentane 750.54
    1-propoxy-2-propanol 2673.21
    1-methoxy-2-propyl acetate 4692.51
    2-(2-methoxypropoxy) propanol 2529.96
    mesitylene 1865.72
    ε-caprolactone 10621.86
    p-cymene 1197.68
    epichlorohydrin 14280.78
    1,1,1-trichloroethane 14942.62
    2-aminoethanol 1088.1
    morpholine-4-carbaldehyde 9950.33
    sulfolane 21894.09
    2,2,4-trimethylpentane 667.91
    2-methyltetrahydrofuran 10180.81
    n-hexyl acetate 5289.7
    isooctane 348.94
    2-(2-butoxyethoxy)ethanol 2963.21
    sec-butyl acetate 3364.96
    tert-butyl acetate 5799.88
    decalin 718.17
    glycerin 1421.47
    diglyme 6459.54
    acrylic acid 3963.12
    isopropyl myristate 1783.38
    n-butyric acid 5808.62
    acetyl acetate 5595.56
    di(2-ethylhexyl) phthalate 1764.64
    ethyl propionate 3961.56
    nitromethane 9217.65
    1,2-diethoxyethane 2855.73
    benzonitrile 2756.1
    trioctyl phosphate 1428.01
    1-bromopropane 5954.64
    gamma-valerolactone 14989.21
    n-decanol 912.43
    triethyl phosphate 2262.29
    4-methyl-2-pentanol 1241.48
    propionitrile 2239.19
    vinylene carbonate 8197.05
    1,1,2-trichlorotrifluoroethane 11436.24
    DMS 4999.03
    cumene 1177.16
    2-octanol 1386.46
    2-hexanone 3304.53
    octyl acetate 2475.36
    limonene 2111.4
    1,2-dimethoxyethane 3700.84
    ethyl orthosilicate 2153.85
    tributyl phosphate 1823.47
    diacetone alcohol 4362.1
    N,N-dimethylaniline 2594.32
    acrylonitrile 2665.52
    aniline 3938.19
    1,3-propanediol 1659.67
    bromobenzene 8264.2
    dibromomethane 11412.19
    1,1,2,2-tetrachloroethane 21778.51
    2-methyl-cyclohexyl acetate 3235.97
    tetrabutyl urea 2497.11
    diisobutyl methanol 922.89
    2-phenylethanol 1831.6
    styrene 2228.56
    dioctyl adipate 2672.44
    dimethyl sulfate 9710.44
    ethyl butyrate 3214.55
    methyl lactate 3463.56
    butyl lactate 3437.73
    diethyl carbonate 2283.09
    propanediol butyl ether 2327.13
    triethyl orthoformate 2810.39
    p-tert-butyltoluene 1335.69
    methyl 4-tert-butylbenzoate 4871.97
    morpholine 6629.54
    tert-butylamine 1657.5
    n-dodecanol 645.47
    dimethoxymethane 5800.04
    ethylene carbonate 7212.57
    cyrene 2982.19
    2-ethoxyethyl acetate 5642.36
    2-ethylhexyl acetate 3685.28
    1,2,4-trichlorobenzene 9105.77
    4-methylpyridine 8173.92
    dibutyl ether 1940.14
    2,6-dimethyl-4-heptanol 922.89
    DEF 7752.31
    dimethyl isosorbide 4953.57
    tetrachloroethylene 12177.11
    eugenol 3036.2
    triacetin 5632.38
    span 80 2663.41
    1,4-butanediol 688.44
    1,1-dichloroethane 11207.94
    2-methyl-1-pentanol 1516.57
    methyl formate 3786.17
    2-methyl-1-butanol 2228.97
    n-decane 355.2
    butyronitrile 2274.32
    3,7-dimethyl-1-octanol 1313.39
    1-chlorooctane 1694.34
    1-chlorotetradecane 579.05
    n-nonane 342.43
    undecane 239.27
    tert-butylcyclohexane 605.07
    cyclooctane 731.89
    cyclopentanol 4689.21
    tetrahydropyran 7211.09
    tert-amyl methyl ether 3900.59
    2,5,8-trioxanonane 3652.93
    1-hexene 1614.7
    2-isopropoxyethanol 1863.51
    2,2,2-trifluoroethanol 3816.45
    methyl butyrate 4930.1

    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