Methiodal Sodium

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  • Identifiers

    CAS number
    126-31-8

    Molecular formula
    CH2INaO3S

    SMILES
    C(S(=O)(=O)[O-])I.[Na+]

  • Odor profile

    Fragrance
    Odorless 85.74%
    Sulfurous 20.48%
    Savory 20.38%
    Cooked 18.49%
    Pungent 16.21%
    Roasted 15.69%
    Meaty 13.66%
    Onion 12.3%
    Burnt 12.22%
    Garlic 11.51%

     

    Flavor
    Bitter 62.92%
    Odorless 36.64%
    Bland 26.18%
    Nitrile 20.83%
    Taco 19.91%
    Formyl 19.73%
    Sulfur 19.65%
    Roasted peanuts 19.59%
    Bread crust 19.48%
    Rotten 19.36%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    3.28 (weak acid)

    Molecular weight
    243.99 g/mol

    Flash point

    • 114.46 ˚C est.

    Solubility expt.

    • Soluble (NTP, 1992)
    • FREELY SOL IN WATER (70 G/100 ML); SLIGHTLY SOL IN ALC (2.5 G/100 ML), BENZENE, ETHER, ACETONE
    • VERY SOL IN METHANOL

  • Synonyms

    • Methiodal sodium
    • Sodium iodomethanesulfonate
    • 126-31-8
    • Abrodil
    • Sergosin
    • Skiodan
    • Sodium methiodal
    • Skiodan Sodium
    • Methoidal sodium
    • Methiodal natrium
    • Abrodan
    • Metiodal sodico
    • Methiodal sodique
    • Diagnorenol
    • Radiographol
    • Abroden
    • Conturex
    • Myelotrast
    • Sergozin
    • Neo-sombraven
    • Kontrast-U
    • Metiodal sodico [INN-Spanish]
    • Methiodal sodique [INN-French]
    • HSDB 4377
    • Methiodalum natricum [INN-Latin]
    • metiodal de sodio
    • Iodomethanesulfonic acid sodium salt
    • EINECS 204-782-6
    • NSC 510652
    • UNII-3880P18UBM
    • Methanesulfonic acid, iodo-, sodium salt
    • Methiodal sodium [USP:INN:BAN]
    • Methiodal sodium (INN)
    • Sodium monoiodomethanesulfonate
    • NSC-510652
    • METHIODAL SODIUM [MI]
    • NCI-C03849
    • METHIODAL SODIUM [INN]
    • METHIODAL SODIUM [HSDB]
    • METHIODAL SODIUM [WHO-DD]
    • SODIUM IODOMETHANESULPHONATE
    • 3880P18UBM
    • Monoiodomethanesulfonic acid, sodium salt
    • IODOMETHANESULFONIC ACID SODIUM
    • Sergosinum
    • Methanesulfonic acid, 1-iodo-, sodium salt (1:1)
    • Metiodal sodico (INN-Spanish)
    • Methiodal sodique (INN-French)
    • Methiodalum natricum (INN-Latin)
    • Methiodal sodium (USP:INN:BAN)
    • Methiodalum natricum
    • MFCD00867918
    • sodium;iodomethanesulfonate
    • 1-Iodomethanesulfonate sodium
    • SCHEMBL1650439
    • CHEMBL2106907
    • V08AA09
    • COCJIVDXXCJXND-UHFFFAOYSA-M
    • DTXSID701035794
    • NS00041404
    • D09213
    • Q6823643
    • 204-782-6

  • Applications

    Methiodal Sodium (CAS number: 126-31-8) is used as a methylating reagent in organic synthesis, enabling installation of methyl groups on nitrogen or oxygen and serving as a source of methyl for various intermediates and derivatives. It is often treated as a precursor in the manufacture of pharmaceutical and specialty chemical intermediates. In materials chemistry, the compound may participate in polymer functionalization and end-group modification of polymers. In research and development, it is evaluated as a methylation reagent for laboratory-scale processes, with adherence to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 178.93
    methanol 283.73
    isopropanol 141.86
    water 63.53
    ethyl acetate 253.46
    n-propanol 134.12
    acetone 659.99
    n-butanol 111.11
    acetonitrile 476.0
    DMF 1489.53
    toluene 155.94
    isobutanol 99.72
    1,4-dioxane 620.62
    methyl acetate 341.56
    THF 682.43
    2-butanone 383.14
    n-pentanol 101.16
    sec-butanol 125.2
    n-hexane 50.6
    ethylene glycol 138.91
    NMP 1127.23
    cyclohexane 72.48
    DMSO 1217.61
    n-butyl acetate 136.55
    n-octanol 114.93
    chloroform 230.69
    n-propyl acetate 197.38
    acetic acid 189.94
    dichloromethane 332.55
    cyclohexanone 391.71
    propylene glycol 89.06
    isopropyl acetate 179.96
    DMAc 1170.74
    2-ethoxyethanol 335.89
    isopentanol 98.22
    n-heptane 46.38
    ethyl formate 231.8
    1,2-dichloroethane 299.43
    n-hexanol 90.92
    2-methoxyethanol 529.42
    isobutyl acetate 112.35
    tetrachloromethane 59.55
    n-pentyl acetate 124.01
    transcutol 564.44
    n-heptanol 67.28
    ethylbenzene 113.79
    MIBK 208.66
    2-propoxyethanol 270.35
    tert-butanol 168.14
    MTBE 190.32
    2-butoxyethanol 146.27
    propionic acid 124.65
    o-xylene 167.52
    formic acid 173.52
    diethyl ether 305.74
    m-xylene 134.46
    p-xylene 131.41
    chlorobenzene 133.94
    dimethyl carbonate 279.15
    n-octane 29.33
    formamide 376.84
    cyclopentanone 548.19
    2-pentanone 314.26
    anisole 295.06
    cyclopentyl methyl ether 352.5
    gamma-butyrolactone 514.31
    1-methoxy-2-propanol 384.98
    pyridine 342.43
    3-pentanone 336.08
    furfural 571.62
    n-dodecane 29.31
    diethylene glycol 305.87
    diisopropyl ether 119.96
    tert-amyl alcohol 142.51
    acetylacetone 486.46
    n-hexadecane 31.61
    acetophenone 298.17
    methyl propionate 303.3
    isopentyl acetate 104.95
    trichloroethylene 336.43
    n-nonanol 109.71
    cyclohexanol 135.48
    benzyl alcohol 167.55
    2-ethylhexanol 77.21
    isooctanol 55.11
    dipropyl ether 177.05
    1,2-dichlorobenzene 143.42
    ethyl lactate 145.1
    propylene carbonate 236.95
    n-methylformamide 498.05
    2-pentanol 102.5
    n-pentane 59.36
    1-propoxy-2-propanol 190.11
    1-methoxy-2-propyl acetate 204.09
    2-(2-methoxypropoxy) propanol 230.69
    mesitylene 108.68
    ε-caprolactone 286.6
    p-cymene 78.23
    epichlorohydrin 484.8
    1,1,1-trichloroethane 174.05
    2-aminoethanol 145.62
    morpholine-4-carbaldehyde 1059.23
    sulfolane 614.59
    2,2,4-trimethylpentane 25.01
    2-methyltetrahydrofuran 386.82
    n-hexyl acetate 177.14
    isooctane 18.48
    2-(2-butoxyethoxy)ethanol 251.16
    sec-butyl acetate 134.58
    tert-butyl acetate 191.14
    decalin 41.32
    glycerin 162.25
    diglyme 514.8
    acrylic acid 145.29
    isopropyl myristate 113.7
    n-butyric acid 118.62
    acetyl acetate 201.4
    di(2-ethylhexyl) phthalate 90.86
    ethyl propionate 222.05
    nitromethane 693.99
    1,2-diethoxyethane 272.5
    benzonitrile 196.42
    trioctyl phosphate 74.9
    1-bromopropane 178.26
    gamma-valerolactone 678.05
    n-decanol 94.58
    triethyl phosphate 113.23
    4-methyl-2-pentanol 72.77
    propionitrile 217.86
    vinylene carbonate 225.69
    1,1,2-trichlorotrifluoroethane 312.4
    DMS 203.47
    cumene 89.08
    2-octanol 67.18
    2-hexanone 235.91
    octyl acetate 130.04
    limonene 108.71
    1,2-dimethoxyethane 825.2
    ethyl orthosilicate 102.09
    tributyl phosphate 89.97
    diacetone alcohol 224.52
    N,N-dimethylaniline 295.43
    acrylonitrile 295.32
    aniline 165.48
    1,3-propanediol 171.07
    bromobenzene 126.63
    dibromomethane 229.67
    1,1,2,2-tetrachloroethane 286.32
    2-methyl-cyclohexyl acetate 135.14
    tetrabutyl urea 184.32
    diisobutyl methanol 65.3
    2-phenylethanol 129.28
    styrene 134.24
    dioctyl adipate 150.59
    dimethyl sulfate 450.0
    ethyl butyrate 170.07
    methyl lactate 217.51
    butyl lactate 106.8
    diethyl carbonate 129.25
    propanediol butyl ether 149.82
    triethyl orthoformate 135.92
    p-tert-butyltoluene 75.42
    methyl 4-tert-butylbenzoate 190.04
    morpholine 524.91
    tert-butylamine 120.11
    n-dodecanol 83.21
    dimethoxymethane 821.89
    ethylene carbonate 193.16
    cyrene 273.2
    2-ethoxyethyl acetate 183.83
    2-ethylhexyl acetate 98.14
    1,2,4-trichlorobenzene 164.38
    4-methylpyridine 330.37
    dibutyl ether 161.65
    2,6-dimethyl-4-heptanol 65.3
    DEF 541.1
    dimethyl isosorbide 394.28
    tetrachloroethylene 195.93
    eugenol 213.89
    triacetin 211.59
    span 80 159.08
    1,4-butanediol 102.48
    1,1-dichloroethane 201.42
    2-methyl-1-pentanol 87.78
    methyl formate 473.86
    2-methyl-1-butanol 95.51
    n-decane 41.09
    butyronitrile 176.44
    3,7-dimethyl-1-octanol 102.14
    1-chlorooctane 94.07
    1-chlorotetradecane 56.21
    n-nonane 40.31
    undecane 33.8
    tert-butylcyclohexane 30.87
    cyclooctane 40.93
    cyclopentanol 174.86
    tetrahydropyran 315.11
    tert-amyl methyl ether 199.02
    2,5,8-trioxanonane 431.09
    1-hexene 100.09
    2-isopropoxyethanol 218.7
    2,2,2-trifluoroethanol 157.51
    methyl butyrate 263.84

    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