Methyl sulfate, sodium salt

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  • Identifiers

    CAS number
    512-42-5

    Molecular formula
    CH3NaO4S

    SMILES
    COS(=O)(=O)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 86.83%
    Sulfurous 24.46%
    Cooked 18.28%
    Pungent 17.97%
    Savory 17.02%
    Roasted 15.81%
    Sharp 14.32%
    Sour 13.94%
    Fresh 13.08%
    Burnt 12.98%

     

    Flavor
    Bitter 59.3%
    Odorless 32.25%
    Bland 25.54%
    Formyl 21.05%
    Nitrile 20.39%
    Sulfur 20.08%
    Taco 19.8%
    Rotten 19.57%
    Mousy 19.56%
    Bread crust 19.35%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.96 (neutral)

    Molecular weight
    134.09 g/mol

    Flash point

    • 60.24 ˚C est.

  • Synonyms

    • Methyl sulfate, sodium salt
    • RefChem:183984
    • Sodium methyl sulfate
    • 512-42-5
    • Methylsulfuric Acid Sodium Salt
    • sodium;methyl sulfate
    • Methyl sodium sulfate
    • Sodium methyl sulphate
    • Sodium monomethylsulfate
    • Methyl sulfate sodium salt
    • Sodium methylsulfate
    • MFCD00013457
    • SULFURIC ACID, MONOMETHYL ESTER, SODIUM SALT
    • 38W76YJ3JN
    • DTXSID0042406
    • Sulfuric acid, monomethyl ester, sodium salt (1:1)
    • EINECS 208-142-7
    • UNII-38W76YJ3JN
    • MeOSO3Na
    • Salicylic Acid Impurity 8
    • SCHEMBL60049
    • DTXCID8022406
    • Methanesulfuric Acid Sodium Salt
    • Tox21_301316
    • AKOS015903143
    • NCGC00255859-01
    • CAS-512-42-5
    • Monomethyl ester sulfuric acid sodium salt
    • SY046201
    • DB-051929
    • M0433
    • NS00080718
    • D91331
    • F988558
    • Sodium Methyl Sulfate(Discontinued,See C4X-19028)
    • Q27256825
    • 512-42-5

  • Applications

    Methyl sulfate, sodium salt (CAS 512-42-5) is used as an industrial chemical intermediate and a water-soluble salt reagent. It can serve as a precursor for methyl sulfate esters and other sulfonate derivatives in organic synthesis, enabling introduction of the methyl sulfonate functionality in controlled reactions. Its water solubility makes it useful in aqueous-phase reactions and it can be used as a processing additive to adjust the ionic strength and ion properties of formulations. It may be evaluated for applications in polymer chemistry and coatings to introduce sulfonate functionality and improve compatibility with additives and dyes. In research settings, it is used as a reagent for methylation-type transformations under specific conditions. Applications span industrial manufacturing, polymers/plastics, coatings/inks, and cleaning/formulation contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.54
    methanol 371.46
    isopropanol 158.4
    water 230.88
    ethyl acetate 75.1
    n-propanol 120.15
    acetone 295.58
    n-butanol 112.16
    acetonitrile 210.0
    DMF 688.92
    toluene 29.33
    isobutanol 85.1
    1,4-dioxane 168.49
    methyl acetate 121.01
    THF 168.95
    2-butanone 144.62
    n-pentanol 71.99
    sec-butanol 126.25
    n-hexane 5.82
    ethylene glycol 137.89
    NMP 410.26
    cyclohexane 12.88
    DMSO 656.19
    n-butyl acetate 31.95
    n-octanol 46.52
    chloroform 66.21
    n-propyl acetate 43.88
    acetic acid 180.93
    dichloromethane 104.8
    cyclohexanone 130.87
    propylene glycol 93.1
    isopropyl acetate 49.59
    DMAc 508.25
    2-ethoxyethanol 213.78
    isopentanol 93.71
    n-heptane 8.09
    ethyl formate 109.93
    1,2-dichloroethane 92.62
    n-hexanol 47.7
    2-methoxyethanol 371.61
    isobutyl acetate 16.87
    tetrachloromethane 19.03
    n-pentyl acetate 33.84
    transcutol 184.62
    n-heptanol 39.9
    ethylbenzene 16.83
    MIBK 69.69
    2-propoxyethanol 106.27
    tert-butanol 186.45
    MTBE 104.22
    2-butoxyethanol 77.42
    propionic acid 82.49
    o-xylene 37.6
    formic acid 314.41
    diethyl ether 102.04
    m-xylene 24.14
    p-xylene 23.36
    chlorobenzene 26.69
    dimethyl carbonate 80.33
    n-octane 4.83
    formamide 558.07
    cyclopentanone 160.15
    2-pentanone 118.21
    anisole 65.03
    cyclopentyl methyl ether 72.83
    gamma-butyrolactone 158.61
    1-methoxy-2-propanol 230.04
    pyridine 103.44
    3-pentanone 89.87
    furfural 191.72
    n-dodecane 4.23
    diethylene glycol 130.02
    diisopropyl ether 28.06
    tert-amyl alcohol 157.5
    acetylacetone 136.69
    n-hexadecane 4.53
    acetophenone 75.81
    methyl propionate 93.0
    isopentyl acetate 27.66
    trichloroethylene 112.17
    n-nonanol 40.91
    cyclohexanol 80.85
    benzyl alcohol 66.29
    2-ethylhexanol 27.02
    isooctanol 30.01
    dipropyl ether 30.18
    1,2-dichlorobenzene 32.34
    ethyl lactate 46.66
    propylene carbonate 70.75
    n-methylformamide 336.56
    2-pentanol 86.76
    n-pentane 12.85
    1-propoxy-2-propanol 68.59
    1-methoxy-2-propyl acetate 47.35
    2-(2-methoxypropoxy) propanol 78.26
    mesitylene 20.72
    ε-caprolactone 92.42
    p-cymene 17.03
    epichlorohydrin 149.95
    1,1,1-trichloroethane 42.77
    2-aminoethanol 163.5
    morpholine-4-carbaldehyde 339.74
    sulfolane 222.57
    2,2,4-trimethylpentane 6.85
    2-methyltetrahydrofuran 119.97
    n-hexyl acetate 43.13
    isooctane 4.51
    2-(2-butoxyethoxy)ethanol 95.38
    sec-butyl acetate 25.75
    tert-butyl acetate 61.41
    decalin 4.83
    glycerin 153.96
    diglyme 174.64
    acrylic acid 98.31
    isopropyl myristate 22.93
    n-butyric acid 82.25
    acetyl acetate 50.14
    di(2-ethylhexyl) phthalate 26.28
    ethyl propionate 43.33
    nitromethane 427.61
    1,2-diethoxyethane 61.06
    benzonitrile 54.71
    trioctyl phosphate 21.74
    1-bromopropane 40.57
    gamma-valerolactone 215.4
    n-decanol 32.28
    triethyl phosphate 23.56
    4-methyl-2-pentanol 46.34
    propionitrile 87.67
    vinylene carbonate 69.74
    1,1,2-trichlorotrifluoroethane 134.26
    DMS 37.11
    cumene 14.22
    2-octanol 33.68
    2-hexanone 58.1
    octyl acetate 30.86
    limonene 25.53
    1,2-dimethoxyethane 276.99
    ethyl orthosilicate 22.06
    tributyl phosphate 21.05
    diacetone alcohol 117.67
    N,N-dimethylaniline 70.86
    acrylonitrile 133.92
    aniline 67.04
    1,3-propanediol 178.82
    bromobenzene 20.41
    dibromomethane 61.59
    1,1,2,2-tetrachloroethane 97.37
    2-methyl-cyclohexyl acetate 28.46
    tetrabutyl urea 43.19
    diisobutyl methanol 21.73
    2-phenylethanol 47.52
    styrene 21.46
    dioctyl adipate 32.49
    dimethyl sulfate 145.44
    ethyl butyrate 32.01
    methyl lactate 91.95
    butyl lactate 35.93
    diethyl carbonate 23.96
    propanediol butyl ether 76.14
    triethyl orthoformate 25.55
    p-tert-butyltoluene 18.31
    methyl 4-tert-butylbenzoate 67.02
    morpholine 191.23
    tert-butylamine 112.06
    n-dodecanol 25.03
    dimethoxymethane 300.09
    ethylene carbonate 55.04
    cyrene 96.11
    2-ethoxyethyl acetate 47.86
    2-ethylhexyl acetate 20.47
    1,2,4-trichlorobenzene 38.19
    4-methylpyridine 109.92
    dibutyl ether 27.99
    2,6-dimethyl-4-heptanol 21.73
    DEF 197.81
    dimethyl isosorbide 84.66
    tetrachloroethylene 75.38
    eugenol 70.18
    triacetin 51.68
    span 80 54.45
    1,4-butanediol 87.57
    1,1-dichloroethane 60.46
    2-methyl-1-pentanol 59.51
    methyl formate 247.3
    2-methyl-1-butanol 90.29
    n-decane 6.43
    butyronitrile 87.71
    3,7-dimethyl-1-octanol 34.64
    1-chlorooctane 17.85
    1-chlorotetradecane 8.73
    n-nonane 6.2
    undecane 5.07
    tert-butylcyclohexane 4.1
    cyclooctane 6.16
    cyclopentanol 85.43
    tetrahydropyran 87.96
    tert-amyl methyl ether 91.88
    2,5,8-trioxanonane 136.06
    1-hexene 16.74
    2-isopropoxyethanol 118.07
    2,2,2-trifluoroethanol 131.22
    methyl butyrate 70.07

    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