Methyl 3-[dichloro(methyl)silyl]-2-methylpropanoate

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  • Identifiers

    CAS number
    4074-06-0

    Molecular formula
    C6H12Cl2O2Si

    SMILES
    CC(C[Si](C)(Cl)Cl)C(=O)OC

  • Odor profile

    Fragrance
    Floral 35.92%
    Odorless 35.27%
    Fruity 29.31%
    Sweet 28.36%
    Fresh 24.76%
    Woody 23.54%
    Citrus 23.1%
    Grape 20.8%
    Dry 20.53%
    Milky 18.59%

     

    Flavor
    Odorless 29.4%
    Bland 24.96%
    Mild 23.84%
    Sulfurous 19.84%
    Fruity 19.62%
    Acrid 19.61%
    Catty 19.31%
    Yeasty 19.31%
    Bloody 19.0%
    Bouillon 18.93%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.21 (weak base)

    Molecular weight
    215.15 g/mol

    Flash point

    • 74.07 ˚C est.

  • Synonyms

    • 4074-06-0
    • methyl 3-[dichloro(methyl)silyl]-2-methylpropanoate
    • SCHEMBL8370491
    • DTXSID40961161
    • SKKYDEPISCENHR-UHFFFAOYSA-N
    • EINECS 223-787-4
    • NS00048022

  • Applications

    Methyl 3-[dichloro(methyl)silyl]-2-methylpropanoate (CAS 4074-06-0) is primarily used as an organosilicon intermediate in chemical synthesis; it serves as a precursor to silane-functionalized esters that can be grafted onto polymers and inorganic surfaces, enabling surface modification and improved adhesion in coatings and inks, as well as in adhesives and sealants. Upon hydrolysis or condensation of the Si–Cl groups, it can act as a silane coupling agent to enhance bonding to glass, metals and mineral fillers in coatings, composites and plastics. It can be used in industrial manufacturing to prepare silane-containing intermediates for specialty polymers and crosslinkable systems. In electronics, such silane-functionalized intermediates may be used to modify surfaces and improve adhesion of protective coatings or encapsulants on components. Overall, its role is largely as an intermediate in organosilicon chemistry, with potential utility in surface modification, coupling, and crosslinking applications in coatings, adhesives, polymers and electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 365.95
    methanol 529.28
    isopropanol 249.76
    water 14.26
    ethyl acetate 199.63
    n-propanol 261.49
    acetone 415.58
    n-butanol 266.53
    acetonitrile 239.61
    DMF 738.4
    toluene 148.69
    isobutanol 182.3
    1,4-dioxane 621.44
    methyl acetate 252.14
    THF 708.03
    2-butanone 293.49
    n-pentanol 228.91
    sec-butanol 233.55
    n-hexane 21.98
    ethylene glycol 123.48
    NMP 521.31
    cyclohexane 51.8
    DMSO 475.86
    n-butyl acetate 211.47
    n-octanol 166.41
    chloroform 540.84
    n-propyl acetate 199.16
    acetic acid 374.28
    dichloromethane 494.5
    cyclohexanone 438.05
    propylene glycol 125.16
    isopropyl acetate 143.81
    DMAc 523.4
    2-ethoxyethanol 428.54
    isopentanol 207.48
    n-heptane 36.67
    ethyl formate 247.44
    1,2-dichloroethane 251.44
    n-hexanol 217.74
    2-methoxyethanol 596.19
    isobutyl acetate 136.66
    tetrachloromethane 77.89
    n-pentyl acetate 185.16
    transcutol 718.81
    n-heptanol 150.47
    ethylbenzene 109.98
    MIBK 168.2
    2-propoxyethanol 395.35
    tert-butanol 266.57
    MTBE 224.13
    2-butoxyethanol 276.12
    propionic acid 165.4
    o-xylene 126.05
    formic acid 252.87
    diethyl ether 231.15
    m-xylene 119.14
    p-xylene 138.01
    chlorobenzene 189.44
    dimethyl carbonate 110.52
    n-octane 22.78
    formamide 346.67
    cyclopentanone 430.94
    2-pentanone 249.26
    anisole 286.41
    cyclopentyl methyl ether 260.62
    gamma-butyrolactone 409.55
    1-methoxy-2-propanol 376.92
    pyridine 347.3
    3-pentanone 168.77
    furfural 553.56
    n-dodecane 19.99
    diethylene glycol 358.39
    diisopropyl ether 81.48
    tert-amyl alcohol 226.47
    acetylacetone 287.13
    n-hexadecane 22.42
    acetophenone 253.95
    methyl propionate 172.62
    isopentyl acetate 196.53
    trichloroethylene 463.6
    n-nonanol 150.41
    cyclohexanol 259.89
    benzyl alcohol 254.15
    2-ethylhexanol 148.03
    isooctanol 118.63
    dipropyl ether 166.2
    1,2-dichlorobenzene 186.35
    ethyl lactate 117.2
    propylene carbonate 267.77
    n-methylformamide 343.02
    2-pentanol 169.56
    n-pentane 33.24
    1-propoxy-2-propanol 269.43
    1-methoxy-2-propyl acetate 223.13
    2-(2-methoxypropoxy) propanol 238.27
    mesitylene 80.81
    ε-caprolactone 367.41
    p-cymene 95.17
    epichlorohydrin 461.34
    1,1,1-trichloroethane 206.18
    2-aminoethanol 199.3
    morpholine-4-carbaldehyde 744.5
    sulfolane 422.34
    2,2,4-trimethylpentane 20.71
    2-methyltetrahydrofuran 416.97
    n-hexyl acetate 222.79
    isooctane 16.64
    2-(2-butoxyethoxy)ethanol 339.57
    sec-butyl acetate 134.05
    tert-butyl acetate 173.37
    decalin 32.08
    glycerin 184.68
    diglyme 590.44
    acrylic acid 161.41
    isopropyl myristate 110.36
    n-butyric acid 222.98
    acetyl acetate 157.47
    di(2-ethylhexyl) phthalate 107.14
    ethyl propionate 153.5
    nitromethane 556.24
    1,2-diethoxyethane 314.93
    benzonitrile 282.63
    trioctyl phosphate 84.75
    1-bromopropane 159.02
    gamma-valerolactone 715.19
    n-decanol 117.47
    triethyl phosphate 99.38
    4-methyl-2-pentanol 110.93
    propionitrile 173.59
    vinylene carbonate 287.35
    1,1,2-trichlorotrifluoroethane 325.16
    DMS 148.77
    cumene 81.98
    2-octanol 126.18
    2-hexanone 234.6
    octyl acetate 138.17
    limonene 134.22
    1,2-dimethoxyethane 717.0
    ethyl orthosilicate 107.51
    tributyl phosphate 97.67
    diacetone alcohol 207.25
    N,N-dimethylaniline 212.07
    acrylonitrile 209.7
    aniline 196.03
    1,3-propanediol 287.45
    bromobenzene 177.04
    dibromomethane 300.97
    1,1,2,2-tetrachloroethane 364.13
    2-methyl-cyclohexyl acetate 176.17
    tetrabutyl urea 148.6
    diisobutyl methanol 98.53
    2-phenylethanol 236.18
    styrene 138.64
    dioctyl adipate 155.55
    dimethyl sulfate 143.05
    ethyl butyrate 178.53
    methyl lactate 124.67
    butyl lactate 159.19
    diethyl carbonate 125.67
    propanediol butyl ether 257.7
    triethyl orthoformate 147.53
    p-tert-butyltoluene 91.54
    methyl 4-tert-butylbenzoate 203.49
    morpholine 593.62
    tert-butylamine 178.01
    n-dodecanol 93.8
    dimethoxymethane 458.44
    ethylene carbonate 228.02
    cyrene 292.67
    2-ethoxyethyl acetate 246.73
    2-ethylhexyl acetate 165.88
    1,2,4-trichlorobenzene 218.29
    4-methylpyridine 376.56
    dibutyl ether 158.31
    2,6-dimethyl-4-heptanol 98.53
    DEF 295.99
    dimethyl isosorbide 393.63
    tetrachloroethylene 234.94
    eugenol 230.28
    triacetin 216.71
    span 80 224.35
    1,4-butanediol 168.55
    1,1-dichloroethane 228.8
    2-methyl-1-pentanol 194.1
    methyl formate 289.39
    2-methyl-1-butanol 193.13
    n-decane 33.98
    butyronitrile 233.04
    3,7-dimethyl-1-octanol 140.18
    1-chlorooctane 105.37
    1-chlorotetradecane 48.82
    n-nonane 31.87
    undecane 25.35
    tert-butylcyclohexane 27.98
    cyclooctane 22.76
    cyclopentanol 256.78
    tetrahydropyran 422.29
    tert-amyl methyl ether 188.14
    2,5,8-trioxanonane 441.29
    1-hexene 85.66
    2-isopropoxyethanol 275.43
    2,2,2-trifluoroethanol 152.99
    methyl butyrate 216.38

    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