Chlorodimethyl(2,4,4-trimethylpentyl)silane

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  • Identifiers

    CAS number
    79957-95-2

    Molecular formula
    C10H23ClSi

    SMILES
    CC(CC(C)(C)C)C[Si](C)(C)Cl

  • Odor profile

    Fragrance
    Woody 55.59%
    Fatty 33.62%
    Green 31.41%
    Floral 31.35%
    Dry 29.64%
    Herbal 28.92%
    Vetiver 28.78%
    Citrus 28.39%
    Waxy 26.78%
    Mint 26.39%

     

    Flavor
    Mild 26.16%
    Yeasty 20.34%
    Delicate 19.95%
    Leathery 19.79%
    Glue 19.56%
    Bloody 19.5%
    Green pepper 19.26%
    Catty 19.2%
    Black currant 19.13%
    Blackberry 19.12%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    9.4 (weak base)

    Molecular weight
    206.83 g/mol

    Flash point

    • 67.95 ˚C est.

  • Synonyms

    • 79957-95-2
    • Chlorodimethyl(2,4,4-trimethylpentyl)silane
    • chloro-dimethyl-(2,4,4-trimethylpentyl)silane
    • EINECS 279-358-7
    • Silane,chlorodimethyl(2,4,4-trimethylpentyl)-
    • Silane, chlorodimethyl(2,4,4-trimethylpentyl)-
    • MFCD09953863
    • XYMJSYGBKPQLCS-UHFFFAOYSA-N
    • DTXSID701000860
    • 2,4,4-trimethylpentyldimethylchlorosilane
    • NS00060970
    • Chloro(dimethyl)(2,4,4-trimethylpentyl)silane
    • 279-358-7

  • Applications

    Chlorodimethyl(2,4,4-trimethylpentyl)silane (CAS 79957-95-2) is a chlorosilane primarily used as an intermediate in organosilicon synthesis and as a silane coupling/surface-modification agent. In industrial settings, it is employed to introduce bulky alkyl silane groups into downstream silicone materials and to modify surfaces for coatings, adhesives, and sealants to improve adhesion and moisture resistance. It also serves as a silylation reagent in organic synthesis to protect hydroxyl groups (-OH) or install functional silane moieties on substrates. It can function as a precursor in silicone-containing polymers and coatings, enabling subsequent crosslinking and siloxane chemistries. Use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 595.91
    methanol 430.05
    isopropanol 470.77
    water 0.54
    ethyl acetate 505.42
    n-propanol 580.7
    acetone 570.0
    n-butanol 665.42
    acetonitrile 236.52
    DMF 465.16
    toluene 572.99
    isobutanol 437.49
    1,4-dioxane 975.54
    methyl acetate 347.09
    THF 2859.75
    2-butanone 585.15
    n-pentanol 478.02
    sec-butanol 531.69
    n-hexane 389.15
    ethylene glycol 57.4
    NMP 691.67
    cyclohexane 709.8
    DMSO 394.9
    n-butyl acetate 862.11
    n-octanol 607.09
    chloroform 761.57
    n-propyl acetate 407.94
    acetic acid 262.67
    dichloromethane 562.43
    cyclohexanone 1104.61
    propylene glycol 157.85
    isopropyl acetate 459.49
    DMAc 371.84
    2-ethoxyethanol 368.28
    isopentanol 512.96
    n-heptane 736.88
    ethyl formate 287.76
    1,2-dichloroethane 395.97
    n-hexanol 1067.42
    2-methoxyethanol 557.68
    isobutyl acetate 394.89
    tetrachloromethane 194.16
    n-pentyl acetate 528.53
    transcutol 1055.09
    n-heptanol 584.43
    ethylbenzene 297.13
    MIBK 509.1
    2-propoxyethanol 927.12
    tert-butanol 537.54
    MTBE 718.93
    2-butoxyethanol 602.75
    propionic acid 256.4
    o-xylene 301.43
    formic acid 61.34
    diethyl ether 808.57
    m-xylene 406.94
    p-xylene 348.55
    chlorobenzene 417.62
    dimethyl carbonate 143.87
    n-octane 236.28
    formamide 82.76
    cyclopentanone 1190.18
    2-pentanone 690.34
    anisole 401.29
    cyclopentyl methyl ether 1293.58
    gamma-butyrolactone 889.53
    1-methoxy-2-propanol 548.16
    pyridine 626.58
    3-pentanone 444.28
    furfural 600.89
    n-dodecane 138.34
    diethylene glycol 361.62
    diisopropyl ether 413.27
    tert-amyl alcohol 532.77
    acetylacetone 499.5
    n-hexadecane 155.67
    acetophenone 337.75
    methyl propionate 378.37
    isopentyl acetate 786.57
    trichloroethylene 564.25
    n-nonanol 521.6
    cyclohexanol 765.91
    benzyl alcohol 280.52
    2-ethylhexanol 781.59
    isooctanol 442.41
    dipropyl ether 1070.81
    1,2-dichlorobenzene 305.19
    ethyl lactate 193.18
    propylene carbonate 561.79
    n-methylformamide 228.82
    2-pentanol 501.29
    n-pentane 404.33
    1-propoxy-2-propanol 923.7
    1-methoxy-2-propyl acetate 688.37
    2-(2-methoxypropoxy) propanol 416.19
    mesitylene 300.94
    ε-caprolactone 810.82
    p-cymene 371.34
    epichlorohydrin 765.46
    1,1,1-trichloroethane 438.23
    2-aminoethanol 181.76
    morpholine-4-carbaldehyde 648.65
    sulfolane 819.72
    2,2,4-trimethylpentane 176.36
    2-methyltetrahydrofuran 1709.43
    n-hexyl acetate 760.44
    isooctane 172.02
    2-(2-butoxyethoxy)ethanol 611.72
    sec-butyl acetate 356.26
    tert-butyl acetate 599.54
    decalin 224.3
    glycerin 158.1
    diglyme 859.86
    acrylic acid 164.83
    isopropyl myristate 394.32
    n-butyric acid 509.54
    acetyl acetate 266.24
    di(2-ethylhexyl) phthalate 272.18
    ethyl propionate 356.03
    nitromethane 262.37
    1,2-diethoxyethane 666.4
    benzonitrile 354.23
    trioctyl phosphate 264.93
    1-bromopropane 544.91
    gamma-valerolactone 1085.83
    n-decanol 394.82
    triethyl phosphate 247.06
    4-methyl-2-pentanol 355.41
    propionitrile 306.68
    vinylene carbonate 399.9
    1,1,2-trichlorotrifluoroethane 388.13
    DMS 267.29
    cumene 221.5
    2-octanol 444.53
    2-hexanone 536.68
    octyl acetate 471.55
    limonene 659.46
    1,2-dimethoxyethane 655.26
    ethyl orthosilicate 282.46
    tributyl phosphate 258.78
    diacetone alcohol 504.93
    N,N-dimethylaniline 308.06
    acrylonitrile 233.38
    aniline 422.36
    1,3-propanediol 296.15
    bromobenzene 459.53
    dibromomethane 558.38
    1,1,2,2-tetrachloroethane 487.79
    2-methyl-cyclohexyl acetate 599.66
    tetrabutyl urea 343.12
    diisobutyl methanol 460.73
    2-phenylethanol 499.51
    styrene 308.56
    dioctyl adipate 410.43
    dimethyl sulfate 155.55
    ethyl butyrate 599.93
    methyl lactate 192.19
    butyl lactate 397.69
    diethyl carbonate 318.91
    propanediol butyl ether 519.84
    triethyl orthoformate 488.34
    p-tert-butyltoluene 403.97
    methyl 4-tert-butylbenzoate 418.72
    morpholine 1171.56
    tert-butylamine 472.58
    n-dodecanol 314.51
    dimethoxymethane 573.51
    ethylene carbonate 385.11
    cyrene 387.2
    2-ethoxyethyl acetate 481.77
    2-ethylhexyl acetate 727.7
    1,2,4-trichlorobenzene 341.22
    4-methylpyridine 719.99
    dibutyl ether 745.48
    2,6-dimethyl-4-heptanol 460.73
    DEF 504.94
    dimethyl isosorbide 800.44
    tetrachloroethylene 325.69
    eugenol 343.71
    triacetin 428.66
    span 80 568.57
    1,4-butanediol 133.73
    1,1-dichloroethane 463.3
    2-methyl-1-pentanol 402.91
    methyl formate 176.32
    2-methyl-1-butanol 495.95
    n-decane 255.54
    butyronitrile 494.97
    3,7-dimethyl-1-octanol 517.75
    1-chlorooctane 487.5
    1-chlorotetradecane 216.89
    n-nonane 286.94
    undecane 179.77
    tert-butylcyclohexane 226.42
    cyclooctane 351.86
    cyclopentanol 783.93
    tetrahydropyran 1695.93
    tert-amyl methyl ether 622.37
    2,5,8-trioxanonane 590.16
    1-hexene 620.47
    2-isopropoxyethanol 326.16
    2,2,2-trifluoroethanol 73.58
    methyl butyrate 426.15

    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