Calcium bis(2-hydroxy-4-(methylthio)butyrate)

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  • Identifiers

    CAS number
    4857-44-7

    Molecular formula
    C10H18CaO6S2

    SMILES
    CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 60.1%
    Meaty 56.33%
    Sweet 47.73%
    Savory 47.3%
    Roasted 40.91%
    Onion 33.78%
    Cheesy 33.62%
    Cooked 31.64%
    Vegetable 29.73%
    Fatty 29.37%

     

    Flavor
    Odorless 42.67%
    Sulfurous 33.18%
    Sulfury 26.31%
    Onion 24.33%
    Cooked 23.57%
    Mild 22.39%
    Roasted 22.18%
    Sweet-like 21.46%
    Cabbage 20.82%
    Acidic 20.23%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    4.03 (weak acid)

    Molecular weight
    338.5 g/mol

    Flash point

    • 111.73 ˚C est.

  • Synonyms

    • Calcium bis(2-hydroxy-4-(methylthio)butyrate)
    • RefChem:573394
    • 225-455-4
    • 4857-44-7
    • Calcium 2-hydroxy-4-(methylthio)butanoate
    • 2-Hydroxy-4-(methylthio)butyric acid calcium salt
    • Calcium 2-hydroxy-4-(methylthio)butyrate
    • Butanoic acid, 2-hydroxy-4-(methylthio)-, calcium salt (2:1)
    • Desmeninol calcium
    • 922-50-9
    • MFCD00042725
    • C10H18CaO6S2
    • OH-M
    • calcium;2-hydroxy-4-methylsulfanylbutanoate
    • 1VK0YS654L
    • Butyric acid, 2-hydroxy-4-(methylthio)-, calcium salt (2:1)
    • Calcium bis((1)-2-hydroxy-4-(methylthio)butyrate)
    • MHA
    • 14676-91-6
    • calcium hydroxymethionine
    • Calcium a-Hydroxy-?-Methylmercaptobutyrate
    • NSC-1230
    • NSC 1230
    • EINECS 225-455-4
    • UNII-1VK0YS654L
    • Calcium .alpha.-hydroxy-.gamma.-methylmercaptobutyrate
    • 2-Hydroxy-4-(methylthio)butanoic acid calcium salt
    • EINECS 213-075-1
    • Calcium alpha-hydroxy-gamma-methylmercaptobutyrate (VAN)
    • CALCIUM DESMENINOL
    • orb1302108
    • SCHEMBL1685415
    • Butanoic acid, 2-hydroxy-4-(methylthio)-, calcium salt
    • DTXSID80919308
    • MSK2984
    • 2-hydroxy-4-(methylthio)butanoate
    • (+/-)-DESMENINOL CALCIUM
    • Calcium alpha-Hydroxy-DL-methionine
    • DESMENINOL CALCIUM [WHO-DD]
    • AKOS015856197
    • FH43305
    • Methionine hydroxyl analog calcium salt
    • alpha-Hydroxy-DL-methionine Calcium Salt
    • Calcium2-hydroxy-4-(methylthio)butanoate
    • AS-19364
    • SY036367
    • calcium 2-hydroxy-4-(methylthio)-butyrate
    • Calcium-DL-2-hydroxy-4(methylthio)butyrate
    • DB-023004
    • calcium;2-hydroxy-4-methylsulfanyl-butanoate
    • H0651
    • NS00073999
    • A51087
    • CALCIUM DL-2-HYDROXY-4-METHYLTHIOBUTYRATE
    • F235807
    • 2-hydroxy-4-methylmercaptobutyric acid calcium salt
    • CALCIUM A-HYDROXY-R-METHYLTHIOBUTYRATE, DL-
    • Calcium bis[2-hydroxy-4-(methylsulfanyl)butanoate]
    • 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID CALCIUM
    • Q27252956
    • 2-Hydroxy-4-(methylthio)-butanoic acid calcium salt (2:1)
    • CALCIUM DL-.ALPHA.-HYDROXY-.GAMMA.-METHYLTHIOBUTYRATE
    • 4857-44-7

  • Applications

    Chemical name: Calcium bis(2-hydroxy-4-(methylthio)butyrate); CAS number: 4857-44-7 is a calcium salt that can function as a chelating agent by sequestering trace metal ions in formulations. It is commonly evaluated for use in detergents and household cleaners, cosmetics/personal care products, and coatings/inks as a stabilizer or metal-discoloration inhibitor. In polymer and plastics processing, it can act as a processing aid or stabilizer to improve melt stability and dispersion. It can also serve as an intermediate or building block in industrial manufacturing and specialty chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.69
    methanol 259.3
    isopropanol 62.38
    water 39.78
    ethyl acetate 39.85
    n-propanol 60.75
    acetone 89.73
    n-butanol 52.4
    acetonitrile 19.84
    DMF 210.79
    toluene 4.98
    isobutanol 35.44
    1,4-dioxane 79.8
    methyl acetate 37.35
    THF 133.3
    2-butanone 38.12
    n-pentanol 37.32
    sec-butanol 42.34
    n-hexane 1.12
    ethylene glycol 178.66
    NMP 286.61
    cyclohexane 3.32
    DMSO 589.62
    n-butyl acetate 38.76
    n-octanol 28.37
    chloroform 7.01
    n-propyl acetate 27.01
    acetic acid 230.32
    dichloromethane 12.05
    cyclohexanone 96.41
    propylene glycol 96.94
    isopropyl acetate 31.67
    DMAc 158.97
    2-ethoxyethanol 149.41
    isopentanol 46.39
    n-heptane 2.74
    ethyl formate 43.17
    1,2-dichloroethane 19.13
    n-hexanol 49.52
    2-methoxyethanol 301.34
    isobutyl acetate 14.59
    tetrachloromethane 2.87
    n-pentyl acetate 31.99
    transcutol 391.21
    n-heptanol 33.35
    ethylbenzene 6.43
    MIBK 35.64
    2-propoxyethanol 135.17
    tert-butanol 90.46
    MTBE 21.5
    2-butoxyethanol 88.41
    propionic acid 90.17
    o-xylene 10.92
    formic acid 305.46
    diethyl ether 13.97
    m-xylene 10.08
    p-xylene 7.78
    chlorobenzene 8.75
    dimethyl carbonate 25.93
    n-octane 1.55
    formamide 330.21
    cyclopentanone 127.14
    2-pentanone 44.44
    anisole 20.6
    cyclopentyl methyl ether 42.7
    gamma-butyrolactone 172.04
    1-methoxy-2-propanol 167.85
    pyridine 29.87
    3-pentanone 22.6
    furfural 171.86
    n-dodecane 1.57
    diethylene glycol 215.48
    diisopropyl ether 8.83
    tert-amyl alcohol 66.44
    acetylacetone 101.47
    n-hexadecane 1.7
    acetophenone 42.16
    methyl propionate 36.79
    isopentyl acetate 37.58
    trichloroethylene 32.34
    n-nonanol 25.68
    cyclohexanol 50.32
    benzyl alcohol 39.32
    2-ethylhexanol 27.18
    isooctanol 26.86
    dipropyl ether 14.85
    1,2-dichlorobenzene 15.01
    ethyl lactate 35.29
    propylene carbonate 82.45
    n-methylformamide 134.59
    2-pentanol 34.19
    n-pentane 1.28
    1-propoxy-2-propanol 88.01
    1-methoxy-2-propyl acetate 64.71
    2-(2-methoxypropoxy) propanol 93.68
    mesitylene 10.53
    ε-caprolactone 104.68
    p-cymene 11.72
    epichlorohydrin 104.69
    1,1,1-trichloroethane 9.69
    2-aminoethanol 170.21
    morpholine-4-carbaldehyde 243.27
    sulfolane 336.59
    2,2,4-trimethylpentane 1.59
    2-methyltetrahydrofuran 64.85
    n-hexyl acetate 43.15
    isooctane 1.74
    2-(2-butoxyethoxy)ethanol 145.06
    sec-butyl acetate 18.96
    tert-butyl acetate 50.07
    decalin 2.73
    glycerin 196.72
    diglyme 204.84
    acrylic acid 107.99
    isopropyl myristate 18.3
    n-butyric acid 88.71
    acetyl acetate 37.61
    di(2-ethylhexyl) phthalate 29.11
    ethyl propionate 22.8
    nitromethane 235.07
    1,2-diethoxyethane 47.28
    benzonitrile 24.34
    trioctyl phosphate 23.58
    1-bromopropane 4.93
    gamma-valerolactone 209.95
    n-decanol 20.48
    triethyl phosphate 20.85
    4-methyl-2-pentanol 24.52
    propionitrile 12.3
    vinylene carbonate 65.81
    1,1,2-trichlorotrifluoroethane 139.56
    DMS 41.5
    cumene 7.82
    2-octanol 20.31
    2-hexanone 27.79
    octyl acetate 26.74
    limonene 16.34
    1,2-dimethoxyethane 103.59
    ethyl orthosilicate 18.93
    tributyl phosphate 24.41
    diacetone alcohol 126.35
    N,N-dimethylaniline 25.62
    acrylonitrile 27.09
    aniline 18.45
    1,3-propanediol 187.61
    bromobenzene 6.42
    dibromomethane 7.6
    1,1,2,2-tetrachloroethane 32.41
    2-methyl-cyclohexyl acetate 36.08
    tetrabutyl urea 40.13
    diisobutyl methanol 21.8
    2-phenylethanol 47.67
    styrene 5.88
    dioctyl adipate 36.74
    dimethyl sulfate 76.85
    ethyl butyrate 27.57
    methyl lactate 64.37
    butyl lactate 45.7
    diethyl carbonate 18.52
    propanediol butyl ether 107.02
    triethyl orthoformate 21.82
    p-tert-butyltoluene 12.06
    methyl 4-tert-butylbenzoate 64.12
    morpholine 100.33
    tert-butylamine 29.69
    n-dodecanol 15.79
    dimethoxymethane 83.28
    ethylene carbonate 48.32
    cyrene 107.6
    2-ethoxyethyl acetate 60.04
    2-ethylhexyl acetate 24.57
    1,2,4-trichlorobenzene 22.6
    4-methylpyridine 26.35
    dibutyl ether 14.42
    2,6-dimethyl-4-heptanol 21.8
    DEF 71.76
    dimethyl isosorbide 146.44
    tetrachloroethylene 27.54
    eugenol 68.19
    triacetin 63.62
    span 80 87.61
    1,4-butanediol 77.54
    1,1-dichloroethane 7.72
    2-methyl-1-pentanol 34.2
    methyl formate 92.21
    2-methyl-1-butanol 35.52
    n-decane 1.98
    butyronitrile 14.58
    3,7-dimethyl-1-octanol 28.06
    1-chlorooctane 8.29
    1-chlorotetradecane 4.43
    n-nonane 1.83
    undecane 1.74
    tert-butylcyclohexane 2.36
    cyclooctane 1.91
    cyclopentanol 68.78
    tetrahydropyran 33.67
    tert-amyl methyl ether 22.18
    2,5,8-trioxanonane 168.7
    1-hexene 3.3
    2-isopropoxyethanol 83.11
    2,2,2-trifluoroethanol 93.73
    methyl butyrate 35.07

    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