Methylselenocysteine

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  • Identifiers

    CAS number
    26046-90-2

    Molecular formula
    C4H9NO2Se

    SMILES
    C[Se]C[C@@H](C(=O)O)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 45.24%
    Sulfurous 39.75%
    Meaty 38.82%
    Savory 37.57%
    Sweet 28.87%
    Cheesy 28.8%
    Roasted 23.92%
    Cooked 23.44%
    Fishy 19.83%
    Onion 18.73%

     

    Flavor
    Odorless 49.06%
    Sulfury 34.54%
    Sulfurous 33.82%
    Mild 28.74%
    Roasted 28.32%
    Cooked 27.91%
    Bland 22.39%
    Acidic 21.56%
    Onion 21.39%
    Cabbage 21.02%

     

  • Properties

    pKa est.
    5.81 (weak acid)

    Molecular weight
    182.09 g/mol

    Flash point

    • 111.92 ˚C est.

  • Synonyms

    • 26046-90-2
    • Se-methylselenocysteine
    • Methylselenocysteine
    • 3-(Methylseleno)-L-alanine
    • L-Alanine, 3-(methylseleno)-
    • Se-Methyl-selenocysteine
    • Selenium-methylselenocystine
    • Se-Methyl-seleno-L-cysteine
    • L-Se-methylselenocysteine
    • (2R)-2-amino-3-(methylselanyl)propanoic acid
    • Selenomethylselenocysteine
    • TWK220499Z
    • CHEBI:27812
    • DTXSID801020160
    • Selenium methyl cysteine
    • SeMCys
    • methyl selenocysteine
    • CHEBI:9068
    • Methylselenocycteine
    • SeMSC
    • RefChem:818693
    • DTXCID801478008
    • (2R)-2-azaniumyl-3-methylselanylpropanoate
    • 2-amino-3-methylselanylpropanoic acid
    • 3-(Methylseleno)alanine
    • Se-Methyl-L-selenocysteine
    • (R)-2-Amino-3-(methylselanyl)propanoic acid
    • Se-methylseleno-L-cysteine
    • Se-(Methyl)seleno-L-cysteine
    • (2R)-2-amino-3-methylselanylpropanoic acid
    • MFCD00800565
    • 3-(Methylselanyl)-L-alanine
    • C4H9NO2Se
    • 2-Amino-3-methylselenyl propionic acid
    • 2-Amino-3-methylselenyl Propionic Acid;
    • CCRIS 5465
    • Methylseleno-L-cysteine
    • UNII-TWK220499Z
    • L-methylselenocysteine
    • methyl-L-selenocysteine
    • Methylselenocysteine;Se-Methylseleno-L-cysteine
    • Se-methyl selenocysteine
    • Se-Methylselenocysteine?
    • Cysteine, seleno-methyl-
    • Lopac0_000799
    • CHEMBL62382
    • SCHEMBL420015
    • orb1299559
    • METHYLSELENOCYSTEINE, L-
    • MSK8305
    • METHYLSELENOCYSTEINE [WHO-DD]
    • AKOS016005152
    • CCG-204883
    • DB12697
    • EBC-615492
    • SDCCGSBI-0050776.P002
    • NCGC00162258-01
    • NCGC00162258-02
    • DA-75501
    • SY074527
    • ALANINE, 3-(METHYLSELENYL)-, L-
    • HY-114245
    • (R)-2-Amino-3-(methylselanyl)propanoicacid
    • CS-0080570
    • (2R)-2-amino-3-methylselanyl-propanoic acid
    • C05689
    • D95282
    • 046S902
    • BRD-K74227499-001-01-1
    • Q21099600
    • 06E70014-448A-45CD-9AF1-4C0B9CF51C14
    • 26046-90-2

  • Applications

    Methylselenocysteine (CAS 26046-90-2) is used primarily as a building block in organoselenium chemistry and in pharmaceutical/biotech research as a precursor or substrate for the synthesis of selenoamino acids, selenium-containing mimetics, and related compounds; it serves as a research reagent in enzymology and selenium metabolism studies; in organic synthesis it functions as a selenium-containing amino acid derivative enabling the introduction of selenium functionality into peptides and small molecules; it is evaluated as a potential nutraceutical or dietary supplement ingredient under regulatory oversight (subject to local regulations and formulation limits); in plant science and agriculture, it is studied for selenium uptake and biofortification experiments in crops.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.17
    methanol 16.53
    isopropanol 3.55
    water 93.7
    ethyl acetate 1.91
    n-propanol 3.42
    acetone 11.05
    n-butanol 2.27
    acetonitrile 1.26
    DMF 37.45
    toluene 1.1
    isobutanol 2.62
    1,4-dioxane 6.19
    methyl acetate 2.06
    THF 16.74
    2-butanone 3.2
    n-pentanol 2.96
    sec-butanol 2.12
    n-hexane 0.22
    ethylene glycol 30.19
    NMP 73.67
    cyclohexane 0.45
    DMSO 95.15
    n-butyl acetate 4.13
    n-octanol 3.78
    chloroform 1.11
    n-propyl acetate 2.46
    acetic acid 26.02
    dichloromethane 1.09
    cyclohexanone 12.57
    propylene glycol 13.98
    isopropyl acetate 2.56
    DMAc 35.74
    2-ethoxyethanol 19.72
    isopentanol 3.01
    n-heptane 0.77
    ethyl formate 4.46
    1,2-dichloroethane 1.37
    n-hexanol 6.66
    2-methoxyethanol 28.73
    isobutyl acetate 2.09
    tetrachloromethane 1.13
    n-pentyl acetate 4.54
    transcutol 25.91
    n-heptanol 6.96
    ethylbenzene 1.0
    MIBK 4.4
    2-propoxyethanol 24.78
    tert-butanol 7.45
    MTBE 1.67
    2-butoxyethanol 19.82
    propionic acid 8.33
    o-xylene 2.29
    formic acid 62.5
    diethyl ether 0.81
    m-xylene 2.32
    p-xylene 1.46
    chlorobenzene 1.31
    dimethyl carbonate 3.43
    n-octane 0.39
    formamide 44.84
    cyclopentanone 21.53
    2-pentanone 3.76
    anisole 2.78
    cyclopentyl methyl ether 5.38
    gamma-butyrolactone 23.29
    1-methoxy-2-propanol 19.2
    pyridine 4.05
    3-pentanone 2.6
    furfural 30.03
    n-dodecane 0.29
    diethylene glycol 44.54
    diisopropyl ether 0.99
    tert-amyl alcohol 5.26
    acetylacetone 12.3
    n-hexadecane 0.31
    acetophenone 7.4
    methyl propionate 2.73
    isopentyl acetate 4.53
    trichloroethylene 2.95
    n-nonanol 3.84
    cyclohexanol 4.2
    benzyl alcohol 6.56
    2-ethylhexanol 4.42
    isooctanol 5.79
    dipropyl ether 2.47
    1,2-dichlorobenzene 2.19
    ethyl lactate 7.37
    propylene carbonate 10.99
    n-methylformamide 17.57
    2-pentanol 1.89
    n-pentane 0.18
    1-propoxy-2-propanol 16.66
    1-methoxy-2-propyl acetate 10.16
    2-(2-methoxypropoxy) propanol 18.48
    mesitylene 2.64
    ε-caprolactone 11.28
    p-cymene 2.65
    epichlorohydrin 8.8
    1,1,1-trichloroethane 1.38
    2-aminoethanol 22.21
    morpholine-4-carbaldehyde 44.02
    sulfolane 73.8
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 5.41
    n-hexyl acetate 4.77
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 21.34
    sec-butyl acetate 1.82
    tert-butyl acetate 5.09
    decalin 0.45
    glycerin 41.07
    diglyme 30.64
    acrylic acid 14.25
    isopropyl myristate 2.65
    n-butyric acid 7.85
    acetyl acetate 3.31
    di(2-ethylhexyl) phthalate 7.42
    ethyl propionate 2.01
    nitromethane 21.78
    1,2-diethoxyethane 4.01
    benzonitrile 3.47
    trioctyl phosphate 5.7
    1-bromopropane 0.43
    gamma-valerolactone 35.35
    n-decanol 3.08
    triethyl phosphate 4.26
    4-methyl-2-pentanol 2.79
    propionitrile 0.85
    vinylene carbonate 9.33
    1,1,2-trichlorotrifluoroethane 29.13
    DMS 4.66
    cumene 1.46
    2-octanol 3.5
    2-hexanone 3.27
    octyl acetate 3.94
    limonene 3.15
    1,2-dimethoxyethane 14.82
    ethyl orthosilicate 3.88
    tributyl phosphate 4.7
    diacetone alcohol 17.56
    N,N-dimethylaniline 5.07
    acrylonitrile 2.05
    aniline 3.07
    1,3-propanediol 18.31
    bromobenzene 1.01
    dibromomethane 0.84
    1,1,2,2-tetrachloroethane 3.47
    2-methyl-cyclohexyl acetate 7.13
    tetrabutyl urea 8.64
    diisobutyl methanol 3.87
    2-phenylethanol 9.62
    styrene 0.86
    dioctyl adipate 5.32
    dimethyl sulfate 14.29
    ethyl butyrate 3.7
    methyl lactate 11.91
    butyl lactate 10.47
    diethyl carbonate 2.72
    propanediol butyl ether 17.74
    triethyl orthoformate 4.0
    p-tert-butyltoluene 2.97
    methyl 4-tert-butylbenzoate 16.84
    morpholine 7.16
    tert-butylamine 3.02
    n-dodecanol 2.49
    dimethoxymethane 12.09
    ethylene carbonate 6.37
    cyrene 33.68
    2-ethoxyethyl acetate 7.07
    2-ethylhexyl acetate 3.37
    1,2,4-trichlorobenzene 3.15
    4-methylpyridine 3.54
    dibutyl ether 1.32
    2,6-dimethyl-4-heptanol 3.87
    DEF 6.89
    dimethyl isosorbide 32.42
    tetrachloroethylene 4.38
    eugenol 19.18
    triacetin 9.82
    span 80 19.07
    1,4-butanediol 13.23
    1,1-dichloroethane 0.68
    2-methyl-1-pentanol 3.13
    methyl formate 15.15
    2-methyl-1-butanol 2.31
    n-decane 0.39
    butyronitrile 1.02
    3,7-dimethyl-1-octanol 3.9
    1-chlorooctane 1.05
    1-chlorotetradecane 0.66
    n-nonane 0.35
    undecane 0.32
    tert-butylcyclohexane 0.46
    cyclooctane 0.41
    cyclopentanol 8.39
    tetrahydropyran 2.23
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 30.13
    1-hexene 0.41
    2-isopropoxyethanol 12.51
    2,2,2-trifluoroethanol 20.87
    methyl butyrate 3.21

    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