sodium 5-oxo-L-prolinate, compound with methylsilanetriol (1:1)

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  • Identifiers

    CAS number
    99035-50-4

    Molecular formula
    C6H12NNaO6Si

    SMILES
    C[Si](O)(O)O.C1CC(=O)N[C@@H]1C(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.54%
    Sweet 22.33%
    Alcoholic 20.62%
    Fresh 18.57%
    Clean 18.25%
    Green 17.62%
    Sharp 16.9%
    Pungent 15.67%
    Fishy 15.66%
    Sour 15.17%

     

    Flavor
    Odorless 63.09%
    Pungent 32.1%
    Bitter 31.08%
    Sweet 25.63%
    Sour 23.38%
    Vinegar 22.33%
    Mild 22.02%
    Sweet-like 21.88%
    Very slight 21.33%
    Formyl 21.25%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.06 (strong base)

    Molecular weight
    245.24 g/mol

    Flash point

    • 94.1 ˚C est.

  • Synonyms

    • EINECS 308-916-5
    • 99035-50-4
    • Sodium 5-oxo-L-prolinate, compound with methylsilanetriol (1:1)
    • DTXSID00243935
    • RefChem:183746
    • DTXCID30166426
    • 308-916-5
    • NS00093360
    • Sodium (2S)-5-oxopyrrolidine-2-carboxylate--methylsilanetriol (1/1/1)
    • 99035-50-4

  • Applications

    sodium 5-oxo-L-prolinate, compound with methylsilanetriol (1:1) (CAS 99035-50-4) is commonly considered an intermediate in organic synthesis and pharmaceutical development, and may serve as a stabilizer, chelating agent, or buffering component in industrial formulations; owing to its silanol-containing moiety, it is often evaluated as a silicone-containing additive for coatings, inks, and adhesives to improve adhesion, film formation, and surface properties; it can also function as a processing aid or polymer compatibilizer to enhance the durability and performance of finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.88
    methanol 1218.06
    isopropanol 440.03
    water 2447.26
    ethyl acetate 27.38
    n-propanol 374.81
    acetone 278.85
    n-butanol 217.07
    acetonitrile 93.41
    DMF 769.78
    toluene 9.62
    isobutanol 194.27
    1,4-dioxane 150.74
    methyl acetate 51.39
    THF 347.85
    2-butanone 72.4
    n-pentanol 146.54
    sec-butanol 185.53
    n-hexane 15.25
    ethylene glycol 825.0
    NMP 241.82
    cyclohexane 14.58
    DMSO 523.52
    n-butyl acetate 29.97
    n-octanol 52.16
    chloroform 13.3
    n-propyl acetate 33.99
    acetic acid 280.24
    dichloromethane 15.98
    cyclohexanone 65.07
    propylene glycol 633.6
    isopropyl acetate 23.8
    DMAc 294.38
    2-ethoxyethanol 345.57
    isopentanol 108.43
    n-heptane 15.58
    ethyl formate 70.29
    1,2-dichloroethane 19.1
    n-hexanol 111.25
    2-methoxyethanol 657.94
    isobutyl acetate 21.52
    tetrachloromethane 9.36
    n-pentyl acetate 27.55
    transcutol 179.19
    n-heptanol 75.65
    ethylbenzene 6.21
    MIBK 37.07
    2-propoxyethanol 283.0
    tert-butanol 271.27
    MTBE 47.53
    2-butoxyethanol 175.22
    propionic acid 153.76
    o-xylene 9.61
    formic acid 610.31
    diethyl ether 69.44
    m-xylene 10.39
    p-xylene 7.87
    chlorobenzene 6.01
    dimethyl carbonate 58.73
    n-octane 5.62
    formamide 614.74
    cyclopentanone 139.12
    2-pentanone 60.19
    anisole 22.43
    cyclopentyl methyl ether 83.03
    gamma-butyrolactone 124.57
    1-methoxy-2-propanol 419.58
    pyridine 46.54
    3-pentanone 34.42
    furfural 110.59
    n-dodecane 3.2
    diethylene glycol 390.28
    diisopropyl ether 18.62
    tert-amyl alcohol 115.18
    acetylacetone 55.98
    n-hexadecane 3.24
    acetophenone 23.85
    methyl propionate 46.37
    isopentyl acetate 20.52
    trichloroethylene 16.11
    n-nonanol 43.62
    cyclohexanol 91.78
    benzyl alcohol 43.48
    2-ethylhexanol 33.76
    isooctanol 43.21
    dipropyl ether 55.49
    1,2-dichlorobenzene 5.45
    ethyl lactate 61.01
    propylene carbonate 46.32
    n-methylformamide 448.71
    2-pentanol 109.68
    n-pentane 21.13
    1-propoxy-2-propanol 163.92
    1-methoxy-2-propyl acetate 43.34
    2-(2-methoxypropoxy) propanol 74.76
    mesitylene 8.83
    ε-caprolactone 50.21
    p-cymene 7.55
    epichlorohydrin 87.9
    1,1,1-trichloroethane 9.82
    2-aminoethanol 843.0
    morpholine-4-carbaldehyde 242.0
    sulfolane 150.65
    2,2,4-trimethylpentane 4.5
    2-methyltetrahydrofuran 97.71
    n-hexyl acetate 30.13
    isooctane 4.66
    2-(2-butoxyethoxy)ethanol 121.99
    sec-butyl acetate 16.7
    tert-butyl acetate 28.05
    decalin 3.78
    glycerin 779.29
    diglyme 198.64
    acrylic acid 162.62
    isopropyl myristate 13.81
    n-butyric acid 95.97
    acetyl acetate 19.8
    di(2-ethylhexyl) phthalate 18.8
    ethyl propionate 27.32
    nitromethane 233.54
    1,2-diethoxyethane 43.13
    benzonitrile 18.34
    trioctyl phosphate 19.16
    1-bromopropane 13.26
    gamma-valerolactone 171.06
    n-decanol 30.94
    triethyl phosphate 17.72
    4-methyl-2-pentanol 47.5
    propionitrile 53.33
    vinylene carbonate 39.54
    1,1,2-trichlorotrifluoroethane 113.38
    DMS 21.35
    cumene 6.48
    2-octanol 38.7
    2-hexanone 44.87
    octyl acetate 21.24
    limonene 10.49
    1,2-dimethoxyethane 273.4
    ethyl orthosilicate 18.66
    tributyl phosphate 17.21
    diacetone alcohol 81.73
    N,N-dimethylaniline 28.73
    acrylonitrile 70.84
    aniline 35.29
    1,3-propanediol 499.03
    bromobenzene 3.31
    dibromomethane 11.47
    1,1,2,2-tetrachloroethane 19.98
    2-methyl-cyclohexyl acetate 20.24
    tetrabutyl urea 29.18
    diisobutyl methanol 20.71
    2-phenylethanol 38.25
    styrene 6.67
    dioctyl adipate 20.62
    dimethyl sulfate 80.21
    ethyl butyrate 25.6
    methyl lactate 114.76
    butyl lactate 47.48
    diethyl carbonate 17.5
    propanediol butyl ether 155.46
    triethyl orthoformate 26.08
    p-tert-butyltoluene 8.69
    methyl 4-tert-butylbenzoate 38.6
    morpholine 243.77
    tert-butylamine 140.41
    n-dodecanol 22.83
    dimethoxymethane 319.64
    ethylene carbonate 37.98
    cyrene 81.48
    2-ethoxyethyl acetate 31.78
    2-ethylhexyl acetate 15.53
    1,2,4-trichlorobenzene 7.0
    4-methylpyridine 34.54
    dibutyl ether 21.24
    2,6-dimethyl-4-heptanol 20.71
    DEF 78.75
    dimethyl isosorbide 88.47
    tetrachloroethylene 19.67
    eugenol 62.97
    triacetin 30.42
    span 80 72.75
    1,4-butanediol 287.12
    1,1-dichloroethane 13.52
    2-methyl-1-pentanol 58.09
    methyl formate 263.07
    2-methyl-1-butanol 102.91
    n-decane 5.4
    butyronitrile 48.89
    3,7-dimethyl-1-octanol 26.17
    1-chlorooctane 10.24
    1-chlorotetradecane 4.76
    n-nonane 5.78
    undecane 3.92
    tert-butylcyclohexane 3.96
    cyclooctane 6.27
    cyclopentanol 188.16
    tetrahydropyran 96.31
    tert-amyl methyl ether 33.08
    2,5,8-trioxanonane 136.45
    1-hexene 25.34
    2-isopropoxyethanol 170.95
    2,2,2-trifluoroethanol 164.55
    methyl butyrate 38.88

    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