Trisodium dicarboxymethyl alaninate

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  • Identifiers

    CAS number
    164462-16-2

    Molecular formula
    C7H8NNa3O6

    SMILES
    CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 67.58%
    Sweet 45.33%
    Savory 25.47%
    Milky 17.73%
    Buttery 16.4%
    Creamy 15.53%
    Bitter 15.15%
    Clean 14.69%
    Alcoholic 14.48%
    Musk 14.28%

     

    Flavor
    Odorless 58.91%
    Bitter 31.67%
    Bland 28.39%
    Mild 28.04%
    Very mild 25.91%
    Yeast 21.21%
    Sweet-like 20.93%
    Bread crust 19.24%
    Roasted peanuts 18.86%
    Cooked 18.85%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -1.12 (strong acid)

    Molecular weight
    271.11 g/mol

    Flash point

    • 203.3 ˚C est.

  • Synonyms

    • 164462-16-2
    • trisodium dicarboxymethyl alaninate
    • UNII-784K2O81WY
    • Trisodium dicarboxymethylalaninate
    • 784K2O81WY
    • Alanine, N,N-bis(carboxymethyl)-, trisodium salt
    • DL-Alanine-N,N-diacetic acid trisodium salt
    • DTXSID2044555
    • TRISODIUM DICARBOXYMETHYL ALANINATE, DL-
    • Alanine, N-N-bis(carboxymethyl)-, trisodium salt
    • DL-ALANINE, N,N-BIS(CARBOXYMETHYL)-, TRISODIUM SALT
    • RefChem:192168
    • DTXCID0024555
    • TRISODIUM DICARBOXYMETHYL ALANINATE [INCI]
    • 605-362-9
    • Trisodium N-(1-Carboxylatoethyl)iminodiacetate
    • trisodium;2-[bis(carboxylatomethyl)amino]propanoate
    • Trisodium 2-[bis(carboxymethyl)amino]propanoate
    • TrisodiuM N-(1-Carboxylatoethyl)iMinodiacetate Hydrate
    • C7H8NNa3O6
    • Trisodium 2-Methylnitrilotriacetate
    • MFCD08276427
    • MGDA
    • Methyl glycine diacetic acid trisodium salt
    • N,N-Bis(carboxylatomethyl)alanine Trisodium Salt
    • SCHEMBL15967881
    • OHOTVSOGTVKXEL-UHFFFAOYSA-K
    • Trisodium Dicarboxymethyl DL-Alaninate
    • SY107465
    • CS-0217447
    • N,N-Bis(carboxymethyl)alanine trisodium salt
    • T2202
    • EN300-7460365
    • Sodium2,2'-((1-carboxylatoethyl)azanediyl)diacetate
    • Q17381832
    • Sodium 2,2'-((1-carboxylatoethyl)azanediyl)diacetate
    • N-(1-Carboxylatoethyl)iminodiacetic Acid Trisodium Salt
    • TRISODIUM 2-[BIS(CARBOXYLATOMETHYL)AMINO]PROPANOATE
    • 164462-16-2

  • Applications

    Trisodium dicarboxymethyl alaninate (CAS 164462-16-2) is commonly used as a chelating/sequestering agent to bind metal ions and improve formulation stability. Real-world applications include: use in detergents and household cleaning products to enhance metal sequestration and product performance; use in cosmetics and personal care formulations as a stabilizer and chelating agent; evaluation for industrial cleaners and metalworking fluids to minimize metal-catalyzed degradation; use in coatings and inks to improve color stability and reduce metal-driven oxidation; and use as a processing aid or stabilizer in polymer/plastic formulations, within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.14
    methanol 173.5
    isopropanol 16.13
    water 133.49
    ethyl acetate 17.72
    n-propanol 23.96
    acetone 82.98
    n-butanol 12.57
    acetonitrile 28.94
    DMF 897.21
    toluene 16.05
    isobutanol 10.67
    1,4-dioxane 37.46
    methyl acetate 30.92
    THF 74.21
    2-butanone 34.81
    n-pentanol 7.25
    sec-butanol 10.63
    n-hexane 0.84
    ethylene glycol 94.45
    NMP 806.82
    cyclohexane 0.76
    DMSO 1012.16
    n-butyl acetate 8.46
    n-octanol 5.02
    chloroform 7.66
    n-propyl acetate 9.42
    acetic acid 68.66
    dichloromethane 26.79
    cyclohexanone 51.85
    propylene glycol 48.98
    isopropyl acetate 7.36
    DMAc 619.58
    2-ethoxyethanol 60.75
    isopentanol 7.8
    n-heptane 0.95
    ethyl formate 39.21
    1,2-dichloroethane 30.44
    n-hexanol 6.57
    2-methoxyethanol 173.52
    isobutyl acetate 3.01
    tetrachloromethane 1.42
    n-pentyl acetate 5.66
    transcutol 74.9
    n-heptanol 4.45
    ethylbenzene 5.53
    MIBK 9.72
    2-propoxyethanol 45.01
    tert-butanol 14.66
    MTBE 6.56
    2-butoxyethanol 18.54
    propionic acid 48.65
    o-xylene 16.11
    formic acid 332.84
    diethyl ether 10.19
    m-xylene 10.51
    p-xylene 6.67
    chlorobenzene 9.79
    dimethyl carbonate 51.75
    n-octane 0.43
    formamide 402.9
    cyclopentanone 93.54
    2-pentanone 23.0
    anisole 17.12
    cyclopentyl methyl ether 23.41
    gamma-butyrolactone 196.22
    1-methoxy-2-propanol 83.71
    pyridine 58.83
    3-pentanone 24.03
    furfural 198.05
    n-dodecane 0.34
    diethylene glycol 73.01
    diisopropyl ether 1.96
    tert-amyl alcohol 11.91
    acetylacetone 39.08
    n-hexadecane 0.38
    acetophenone 28.62
    methyl propionate 48.95
    isopentyl acetate 5.93
    trichloroethylene 32.91
    n-nonanol 4.97
    cyclohexanol 11.18
    benzyl alcohol 25.59
    2-ethylhexanol 4.04
    isooctanol 3.07
    dipropyl ether 7.68
    1,2-dichlorobenzene 10.7
    ethyl lactate 21.15
    propylene carbonate 53.68
    n-methylformamide 359.35
    2-pentanol 5.53
    n-pentane 0.84
    1-propoxy-2-propanol 24.13
    1-methoxy-2-propyl acetate 18.67
    2-(2-methoxypropoxy) propanol 32.07
    mesitylene 5.11
    ε-caprolactone 55.46
    p-cymene 3.91
    epichlorohydrin 98.47
    1,1,1-trichloroethane 5.04
    2-aminoethanol 84.46
    morpholine-4-carbaldehyde 338.4
    sulfolane 362.04
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 27.39
    n-hexyl acetate 7.96
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 33.37
    sec-butyl acetate 4.06
    tert-butyl acetate 7.69
    decalin 0.61
    glycerin 131.89
    diglyme 58.12
    acrylic acid 82.89
    isopropyl myristate 3.67
    n-butyric acid 26.68
    acetyl acetate 9.49
    di(2-ethylhexyl) phthalate 8.1
    ethyl propionate 13.94
    nitromethane 205.81
    1,2-diethoxyethane 12.27
    benzonitrile 18.49
    trioctyl phosphate 5.32
    1-bromopropane 8.87
    gamma-valerolactone 184.17
    n-decanol 3.84
    triethyl phosphate 8.9
    4-methyl-2-pentanol 2.81
    propionitrile 18.25
    vinylene carbonate 64.91
    1,1,2-trichlorotrifluoroethane 93.31
    DMS 19.77
    cumene 3.65
    2-octanol 2.64
    2-hexanone 10.18
    octyl acetate 5.75
    limonene 5.2
    1,2-dimethoxyethane 79.23
    ethyl orthosilicate 6.71
    tributyl phosphate 6.38
    diacetone alcohol 24.58
    N,N-dimethylaniline 21.45
    acrylonitrile 52.99
    aniline 29.42
    1,3-propanediol 51.07
    bromobenzene 7.31
    dibromomethane 13.62
    1,1,2,2-tetrachloroethane 23.01
    2-methyl-cyclohexyl acetate 7.37
    tetrabutyl urea 15.36
    diisobutyl methanol 2.67
    2-phenylethanol 13.95
    styrene 6.69
    dioctyl adipate 8.73
    dimethyl sulfate 161.15
    ethyl butyrate 9.17
    methyl lactate 73.03
    butyl lactate 12.04
    diethyl carbonate 6.95
    propanediol butyl ether 25.44
    triethyl orthoformate 7.83
    p-tert-butyltoluene 3.49
    methyl 4-tert-butylbenzoate 22.6
    morpholine 62.41
    tert-butylamine 6.26
    n-dodecanol 2.9
    dimethoxymethane 178.46
    ethylene carbonate 39.2
    cyrene 64.66
    2-ethoxyethyl acetate 12.02
    2-ethylhexyl acetate 4.62
    1,2,4-trichlorobenzene 12.95
    4-methylpyridine 62.99
    dibutyl ether 4.01
    2,6-dimethyl-4-heptanol 2.67
    DEF 90.37
    dimethyl isosorbide 50.74
    tetrachloroethylene 16.88
    eugenol 25.77
    triacetin 18.01
    span 80 22.18
    1,4-butanediol 22.3
    1,1-dichloroethane 8.85
    2-methyl-1-pentanol 4.97
    methyl formate 257.69
    2-methyl-1-butanol 8.58
    n-decane 0.55
    butyronitrile 12.06
    3,7-dimethyl-1-octanol 4.07
    1-chlorooctane 2.01
    1-chlorotetradecane 1.01
    n-nonane 0.52
    undecane 0.43
    tert-butylcyclohexane 0.48
    cyclooctane 0.46
    cyclopentanol 17.31
    tetrahydropyran 14.28
    tert-amyl methyl ether 8.79
    2,5,8-trioxanonane 52.4
    1-hexene 2.66
    2-isopropoxyethanol 22.04
    2,2,2-trifluoroethanol 57.33
    methyl butyrate 21.03

    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