Trimethylsilyl trihydrogen silicate

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  • Identifiers

    CAS number
    101649-59-6

    Molecular formula
    C3H12O4Si2

    SMILES
    C[Si](C)(C)O[Si](O)(O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.37%
    Green 22.3%
    Alcoholic 21.97%
    Mint 19.7%
    Fresh 19.5%
    Sweet 19.16%
    Cooling 18.85%
    Clean 16.25%
    Fishy 14.84%
    Balsamic 14.57%

     

    Flavor
    Odorless 38.52%
    Sweet 32.73%
    Mild 29.81%
    Bitter 29.67%
    Fruity 24.74%
    Pungent 24.57%
    Green 22.65%
    Very slight 21.08%
    Sweet-like 20.84%
    Stinky 20.66%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.15 (strong base)

    Molecular weight
    168.3 g/mol

    Flash point

    • 89.68 ˚C est.

  • Synonyms

    • OU6EUR7UAY
    • Trimethylsilyl trihydrogen silicate
    • UNII-OU6EUR7UAY
    • Silicic acid, mono(trimethylsilyl) ester
    • 1,1,1-Disiloxanetriol, 3,3,3-trimethyl-
    • 101649-59-6
    • RefChem:9361
    • Silicic acid, trimethylsilyl ester
    • 56275-01-5
    • Trimethylsilyl silicate
    • 104133-09-7
    • trihydroxy(trimethylsilyloxy)silane
    • DSSTox_CID_24958
    • DSSTox_RID_80614
    • DSSTox_GSID_44958
    • SCHEMBL216545
    • CHEMBL3181894
    • MNTALGTVSQTALQ-UHFFFAOYSA-N
    • silicic acid trimethyl-silyl ester
    • Tox21_301804
    • NCGC00256297-01
    • CAS-56275-01-5
    • 56275-01-5

  • Applications

    Trimethylsilyl trihydrogen silicate is primarily used as an organosilicon building block and intermediate for silica and siloxane chemistry. In industry it is employed in sol-gel processes to form silica-based coatings, films and lightweight ceramic materials, and it can serve as a silicon source for dielectric and protective coatings on glass, ceramics and plastics. It also functions as a silylation agent and silane coupling reagent to improve adhesion and moisture resistance on polymer, glass and ceramic substrates. In coatings and inks, it acts as a crosslinking/network-forming additive to enhance film formation and chemical resistance. It may also be used as an intermediate in the manufacture of specialty silicone resins and fluids, and as a precursor for silicone-containing composites. Depending on formulation, it is used in electronics and optics-related protective coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 728.96
    methanol 1002.73
    isopropanol 448.85
    water 324.04
    ethyl acetate 144.67
    n-propanol 411.84
    acetone 486.4
    n-butanol 316.69
    acetonitrile 132.52
    DMF 765.56
    toluene 59.91
    isobutanol 195.88
    1,4-dioxane 349.43
    methyl acetate 134.07
    THF 1213.59
    2-butanone 194.24
    n-pentanol 172.96
    sec-butanol 254.15
    n-hexane 29.56
    ethylene glycol 417.48
    NMP 495.95
    cyclohexane 33.42
    DMSO 985.16
    n-butyl acetate 96.52
    n-octanol 124.65
    chloroform 74.25
    n-propyl acetate 93.17
    acetic acid 428.6
    dichloromethane 71.58
    cyclohexanone 241.74
    propylene glycol 446.01
    isopropyl acetate 110.75
    DMAc 327.17
    2-ethoxyethanol 424.61
    isopentanol 167.11
    n-heptane 30.28
    ethyl formate 155.93
    1,2-dichloroethane 81.24
    n-hexanol 225.02
    2-methoxyethanol 998.79
    isobutyl acetate 49.41
    tetrachloromethane 24.02
    n-pentyl acetate 90.11
    transcutol 367.27
    n-heptanol 133.76
    ethylbenzene 22.82
    MIBK 129.12
    2-propoxyethanol 532.68
    tert-butanol 347.0
    MTBE 114.07
    2-butoxyethanol 244.47
    propionic acid 245.04
    o-xylene 37.16
    formic acid 473.73
    diethyl ether 236.61
    m-xylene 55.85
    p-xylene 22.1
    chlorobenzene 35.75
    dimethyl carbonate 120.5
    n-octane 13.22
    formamide 609.47
    cyclopentanone 480.91
    2-pentanone 244.23
    anisole 64.77
    cyclopentyl methyl ether 331.62
    gamma-butyrolactone 446.71
    1-methoxy-2-propanol 787.45
    pyridine 148.67
    3-pentanone 123.77
    furfural 315.07
    n-dodecane 9.21
    diethylene glycol 522.14
    diisopropyl ether 63.34
    tert-amyl alcohol 184.1
    acetylacetone 244.21
    n-hexadecane 9.79
    acetophenone 64.49
    methyl propionate 163.88
    isopentyl acetate 66.47
    trichloroethylene 86.1
    n-nonanol 107.5
    cyclohexanol 210.28
    benzyl alcohol 84.51
    2-ethylhexanol 81.98
    isooctanol 78.93
    dipropyl ether 137.8
    1,2-dichlorobenzene 28.81
    ethyl lactate 103.05
    propylene carbonate 172.73
    n-methylformamide 510.26
    2-pentanol 218.19
    n-pentane 47.11
    1-propoxy-2-propanol 326.71
    1-methoxy-2-propyl acetate 147.4
    2-(2-methoxypropoxy) propanol 138.31
    mesitylene 38.49
    ε-caprolactone 186.32
    p-cymene 24.25
    epichlorohydrin 302.48
    1,1,1-trichloroethane 44.86
    2-aminoethanol 530.95
    morpholine-4-carbaldehyde 430.33
    sulfolane 542.23
    2,2,4-trimethylpentane 10.7
    2-methyltetrahydrofuran 364.29
    n-hexyl acetate 119.28
    isooctane 11.64
    2-(2-butoxyethoxy)ethanol 235.1
    sec-butyl acetate 55.33
    tert-butyl acetate 127.52
    decalin 10.11
    glycerin 654.56
    diglyme 300.96
    acrylic acid 223.56
    isopropyl myristate 50.69
    n-butyric acid 259.76
    acetyl acetate 84.21
    di(2-ethylhexyl) phthalate 49.09
    ethyl propionate 91.23
    nitromethane 430.14
    1,2-diethoxyethane 113.96
    benzonitrile 51.08
    trioctyl phosphate 51.65
    1-bromopropane 61.75
    gamma-valerolactone 505.45
    n-decanol 79.69
    triethyl phosphate 42.5
    4-methyl-2-pentanol 105.84
    propionitrile 100.97
    vinylene carbonate 127.97
    1,1,2-trichlorotrifluoroethane 222.47
    DMS 72.04
    cumene 18.83
    2-octanol 92.09
    2-hexanone 111.39
    octyl acetate 73.1
    limonene 38.67
    1,2-dimethoxyethane 391.48
    ethyl orthosilicate 43.19
    tributyl phosphate 49.5
    diacetone alcohol 244.59
    N,N-dimethylaniline 59.89
    acrylonitrile 114.14
    aniline 117.02
    1,3-propanediol 548.92
    bromobenzene 24.71
    dibromomethane 57.71
    1,1,2,2-tetrachloroethane 86.11
    2-methyl-cyclohexyl acetate 63.51
    tetrabutyl urea 72.74
    diisobutyl methanol 53.41
    2-phenylethanol 110.38
    styrene 23.47
    dioctyl adipate 63.82
    dimethyl sulfate 185.79
    ethyl butyrate 75.9
    methyl lactate 214.97
    butyl lactate 100.14
    diethyl carbonate 44.3
    propanediol butyl ether 225.44
    triethyl orthoformate 60.81
    p-tert-butyltoluene 29.9
    methyl 4-tert-butylbenzoate 106.31
    morpholine 522.8
    tert-butylamine 198.72
    n-dodecanol 59.62
    dimethoxymethane 613.06
    ethylene carbonate 117.13
    cyrene 145.24
    2-ethoxyethyl acetate 106.92
    2-ethylhexyl acetate 51.42
    1,2,4-trichlorobenzene 36.39
    4-methylpyridine 119.13
    dibutyl ether 64.81
    2,6-dimethyl-4-heptanol 53.41
    DEF 198.48
    dimethyl isosorbide 227.38
    tetrachloroethylene 64.59
    eugenol 134.62
    triacetin 89.84
    span 80 156.27
    1,4-butanediol 190.56
    1,1-dichloroethane 63.78
    2-methyl-1-pentanol 84.54
    methyl formate 330.43
    2-methyl-1-butanol 144.59
    n-decane 15.91
    butyronitrile 119.67
    3,7-dimethyl-1-octanol 73.73
    1-chlorooctane 43.35
    1-chlorotetradecane 19.07
    n-nonane 15.98
    undecane 11.72
    tert-butylcyclohexane 11.64
    cyclooctane 17.16
    cyclopentanol 370.08
    tetrahydropyran 313.83
    tert-amyl methyl ether 99.56
    2,5,8-trioxanonane 225.21
    1-hexene 58.33
    2-isopropoxyethanol 213.23
    2,2,2-trifluoroethanol 199.45
    methyl butyrate 104.55

    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