Methylsilanol PCA

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  • Identifiers

    CAS number
    105883-41-8

    Molecular formula
    C6H11NO5Si

    SMILES
    C[Si](O)(O)OC(=O)[C@@H]1CCC(=O)N1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.85%
    Sweet 35.47%
    Clean 19.67%
    Cooling 17.65%
    Ethereal 16.93%
    Bitter 16.59%
    Nutty 15.65%
    Savory 15.46%
    Balsamic 14.85%
    Milky 14.72%

     

    Flavor
    Odorless 57.99%
    Bitter 44.22%
    Very mild 31.15%
    Mild 28.06%
    Bland 25.04%
    Sweet-like 22.7%
    Yeast 22.24%
    Sour 19.79%
    Formyl 19.49%
    Stinky 19.19%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.97 (weak base)

    Molecular weight
    205.24 g/mol

    Flash point

    • 179.81 ˚C est.

  • Synonyms

    • Methylsilanol PCA
    • Methylsilanol PCA [INCI]
    • L-Proline, 5-oxo-, dihydroxymethylsilyl ester
    • UNII-837430510V
    • 837430510V
    • DTXSID30883166
    • DIHYDROXYMETHYLSILYL L-PYROGLUTAMATE
    • RefChem:158314
    • DTXCID301022723
    • 105883-41-8
    • orb1985624
    • SCHEMBL29366518
    • VOPVRRNGCBEXNL-BYPYZUCNSA-N
    • AKOS040753039
    • Dihydroxy(methyl)silyl 5-oxo-L-prolinate
    • Q27269406
    • [dihydroxy(methyl)silyl] (2S)-5-oxopyrrolidine-2-carboxylate
    • 105883-41-8

  • Applications

    Methylsilanol PCA (CAS 105883-41-8) is typically used as a silanol-based functional additive in industrial formulations to improve crosslinking, adhesion, and network formation in coatings, inks, and adhesives. It can serve as an intermediate or coupling agent in polymer formulations, enabling better bonding between organic matrices and inorganic fillers or substrates. It may be employed as a precursor for silicone-based polymers and resins, allowing controlled siloxane network build-up in electronics-related coatings and encapsulants. It is commonly evaluated as a surface modification agent for inorganic substrates (glass, ceramics, metals) to enhance wetting and adhesion in industrial manufacturing. It can also act as a processing additive in plastics formulations to influence rheology and stability. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.65
    methanol 112.14
    isopropanol 22.52
    water 102.65
    ethyl acetate 3.37
    n-propanol 22.65
    acetone 20.93
    n-butanol 17.38
    acetonitrile 7.62
    DMF 234.0
    toluene 0.98
    isobutanol 11.44
    1,4-dioxane 13.73
    methyl acetate 4.55
    THF 43.82
    2-butanone 7.94
    n-pentanol 12.43
    sec-butanol 13.17
    n-hexane 0.56
    ethylene glycol 66.49
    NMP 104.46
    cyclohexane 0.5
    DMSO 369.84
    n-butyl acetate 6.25
    n-octanol 6.07
    chloroform 2.11
    n-propyl acetate 5.12
    acetic acid 27.22
    dichloromethane 3.99
    cyclohexanone 13.97
    propylene glycol 49.28
    isopropyl acetate 3.05
    DMAc 112.71
    2-ethoxyethanol 63.69
    isopentanol 11.08
    n-heptane 0.6
    ethyl formate 17.46
    1,2-dichloroethane 3.65
    n-hexanol 10.58
    2-methoxyethanol 129.63
    isobutyl acetate 2.25
    tetrachloromethane 0.57
    n-pentyl acetate 4.5
    transcutol 26.84
    n-heptanol 7.19
    ethylbenzene 1.27
    MIBK 5.87
    2-propoxyethanol 52.47
    tert-butanol 17.71
    MTBE 2.7
    2-butoxyethanol 26.04
    propionic acid 13.3
    o-xylene 1.39
    formic acid 104.64
    diethyl ether 3.68
    m-xylene 1.16
    p-xylene 1.47
    chlorobenzene 1.08
    dimethyl carbonate 7.05
    n-octane 0.34
    formamide 122.62
    cyclopentanone 25.5
    2-pentanone 8.29
    anisole 4.59
    cyclopentyl methyl ether 8.62
    gamma-butyrolactone 31.04
    1-methoxy-2-propanol 71.16
    pyridine 8.08
    3-pentanone 4.26
    furfural 47.31
    n-dodecane 0.26
    diethylene glycol 82.62
    diisopropyl ether 1.01
    tert-amyl alcohol 11.43
    acetylacetone 12.21
    n-hexadecane 0.29
    acetophenone 7.59
    methyl propionate 5.68
    isopentyl acetate 5.06
    trichloroethylene 3.81
    n-nonanol 5.57
    cyclohexanol 8.27
    benzyl alcohol 10.24
    2-ethylhexanol 4.91
    isooctanol 4.76
    dipropyl ether 4.22
    1,2-dichlorobenzene 1.59
    ethyl lactate 12.86
    propylene carbonate 16.43
    n-methylformamide 94.58
    2-pentanol 7.35
    n-pentane 0.46
    1-propoxy-2-propanol 25.97
    1-methoxy-2-propyl acetate 10.66
    2-(2-methoxypropoxy) propanol 20.42
    mesitylene 0.99
    ε-caprolactone 14.07
    p-cymene 1.44
    epichlorohydrin 23.73
    1,1,1-trichloroethane 0.94
    2-aminoethanol 74.82
    morpholine-4-carbaldehyde 81.96
    sulfolane 74.16
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 11.27
    n-hexyl acetate 5.7
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 24.7
    sec-butyl acetate 2.5
    tert-butyl acetate 3.99
    decalin 0.31
    glycerin 104.64
    diglyme 40.95
    acrylic acid 17.05
    isopropyl myristate 2.59
    n-butyric acid 14.37
    acetyl acetate 2.89
    di(2-ethylhexyl) phthalate 5.77
    ethyl propionate 4.6
    nitromethane 41.15
    1,2-diethoxyethane 5.44
    benzonitrile 6.1
    trioctyl phosphate 4.89
    1-bromopropane 1.71
    gamma-valerolactone 51.37
    n-decanol 4.25
    triethyl phosphate 4.67
    4-methyl-2-pentanol 4.06
    propionitrile 5.42
    vinylene carbonate 14.52
    1,1,2-trichlorotrifluoroethane 36.23
    DMS 4.2
    cumene 1.16
    2-octanol 4.15
    2-hexanone 6.78
    octyl acetate 4.05
    limonene 1.75
    1,2-dimethoxyethane 68.8
    ethyl orthosilicate 4.05
    tributyl phosphate 4.63
    diacetone alcohol 16.69
    N,N-dimethylaniline 5.88
    acrylonitrile 9.84
    aniline 3.99
    1,3-propanediol 64.57
    bromobenzene 0.7
    dibromomethane 2.17
    1,1,2,2-tetrachloroethane 4.47
    2-methyl-cyclohexyl acetate 5.59
    tetrabutyl urea 9.47
    diisobutyl methanol 2.67
    2-phenylethanol 9.61
    styrene 1.15
    dioctyl adipate 5.03
    dimethyl sulfate 21.68
    ethyl butyrate 5.63
    methyl lactate 23.94
    butyl lactate 10.28
    diethyl carbonate 4.14
    propanediol butyl ether 24.5
    triethyl orthoformate 5.01
    p-tert-butyltoluene 1.26
    methyl 4-tert-butylbenzoate 10.83
    morpholine 25.2
    tert-butylamine 5.79
    n-dodecanol 3.13
    dimethoxymethane 55.05
    ethylene carbonate 10.71
    cyrene 33.44
    2-ethoxyethyl acetate 5.62
    2-ethylhexyl acetate 3.75
    1,2,4-trichlorobenzene 1.87
    4-methylpyridine 8.17
    dibutyl ether 2.65
    2,6-dimethyl-4-heptanol 2.67
    DEF 20.02
    dimethyl isosorbide 30.3
    tetrachloroethylene 2.98
    eugenol 18.33
    triacetin 6.46
    span 80 15.2
    1,4-butanediol 34.8
    1,1-dichloroethane 1.38
    2-methyl-1-pentanol 7.51
    methyl formate 57.18
    2-methyl-1-butanol 10.37
    n-decane 0.43
    butyronitrile 7.27
    3,7-dimethyl-1-octanol 4.42
    1-chlorooctane 1.34
    1-chlorotetradecane 0.64
    n-nonane 0.42
    undecane 0.32
    tert-butylcyclohexane 0.23
    cyclooctane 0.26
    cyclopentanol 15.46
    tetrahydropyran 6.53
    tert-amyl methyl ether 3.31
    2,5,8-trioxanonane 32.71
    1-hexene 1.54
    2-isopropoxyethanol 24.47
    2,2,2-trifluoroethanol 17.97
    methyl butyrate 8.62

    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