Dicalcium EDTA

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  • Identifiers

    CAS number
    19709-85-4

    Molecular formula
    C10H12Ca2N2O8

    SMILES
    C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Ca+2]

  • Odor profile

    Fragrance
    Odorless 65.17%
    Sweet 38.53%
    Savory 25.02%
    Fishy 20.26%
    Alcoholic 17.69%
    Oily 14.69%
    Clean 14.2%
    Meaty 13.8%
    Milky 13.63%
    Cooling 13.55%

     

    Flavor
    Odorless 58.79%
    Bitter 39.77%
    Bland 30.93%
    Mild 28.59%
    Very mild 23.2%
    Sweet-like 21.29%
    Yeast 20.44%
    Nitrile 18.93%
    Bread crust 18.92%
    Roasted peanuts 18.58%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -2.51 (strong acid)

    Molecular weight
    368.37 g/mol

    Flash point

    • 261.68 ˚C est.

  • Synonyms

    • Dicalcium ethylenediaminetetraacetate
    • 19709-85-4
    • EINECS 243-245-0
    • dicalcium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
    • Calciate(2-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, calcium (1:1), (OC-6-21)-
    • Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, calcium (1:1), (OC-6-21)-
    • dicalcium EDTA
    • ETHYLENEDIAMINETETRAACETIC ACID, DICALCIUM SALT
    • Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kappaO)methyl]glycinato-kappaN,kappaO]](4-)]-, calcium (1:1), (OC-6-21)-
    • Calciate(2-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-,calcium (1:1), (OC-6-21)-
    • Calcium 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetate
    • SCHEMBL5729
    • DTXSID80923187
    • ACYGYJFTZSAZKR-UHFFFAOYSA-J
    • AKOS015911604
    • DB-254803
    • NS00082288
    • Ethylene diaminetetraacetic acid dicalcium salt
    • Q26841200
    • Calciate(2), N,N'1,2ethanediylbisN(carboxymethyl)glycinate
    • dicalcium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate
    • Calcium2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetate
    • 243-245-0
    • Calciate(2), ((N,N'1,2ethanediylbis(N((carboxykappaO)methyl)glycinatokappaN,kappaO))(4)), calcium (1:1), (OC621)

  • Applications

    Dicalcium EDTA, a calcium salt of EDTA, is used as a chelating agent to sequester metal ions and enable stability and performance across multiple industrial and consumer formulations: in detergents and household cleaners to soften water and prevent mineral scale; in cosmetics and personal care to improve formulation stability and product longevity; in coatings and inks to inhibit metal-catalyzed degradation and improve pigment dispersion; in polymers and plastics as a processing stabilizer and to control trace metal interactions; in agriculture and horticulture as a chelated micronutrient delivery aid; and in industrial manufacturing and electronics for metal finishing or electroplating baths to maintain metal ion solubility and process control.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.88
    methanol 4.29
    isopropanol 0.17
    water 1.22
    ethyl acetate 0.2
    n-propanol 0.39
    acetone 0.79
    n-butanol 0.17
    acetonitrile 0.27
    DMF 37.0
    toluene 0.1
    isobutanol 0.15
    1,4-dioxane 0.11
    methyl acetate 0.43
    THF 0.84
    2-butanone 0.66
    n-pentanol 0.06
    sec-butanol 0.16
    n-hexane 0.01
    ethylene glycol 1.41
    NMP 65.1
    cyclohexane 0.01
    DMSO 55.18
    n-butyl acetate 0.22
    n-octanol 0.04
    chloroform 0.36
    n-propyl acetate 0.12
    acetic acid 3.01
    dichloromethane 0.77
    cyclohexanone 0.9
    propylene glycol 1.16
    isopropyl acetate 0.09
    DMAc 30.83
    2-ethoxyethanol 0.71
    isopentanol 0.08
    n-heptane 0.01
    ethyl formate 0.67
    1,2-dichloroethane 0.49
    n-hexanol 0.07
    2-methoxyethanol 4.21
    isobutyl acetate 0.03
    tetrachloromethane 0.07
    n-pentyl acetate 0.07
    transcutol 1.49
    n-heptanol 0.05
    ethylbenzene 0.05
    MIBK 0.11
    2-propoxyethanol 0.89
    tert-butanol 0.13
    MTBE 0.06
    2-butoxyethanol 0.33
    propionic acid 1.39
    o-xylene 0.16
    formic acid 14.91
    diethyl ether 0.07
    m-xylene 0.08
    p-xylene 0.06
    chlorobenzene 0.1
    dimethyl carbonate 0.93
    n-octane 0.0
    formamide 20.93
    cyclopentanone 2.24
    2-pentanone 0.32
    anisole 0.12
    cyclopentyl methyl ether 0.24
    gamma-butyrolactone 4.17
    1-methoxy-2-propanol 1.76
    pyridine 0.84
    3-pentanone 0.44
    furfural 6.75
    n-dodecane 0.0
    diethylene glycol 1.42
    diisopropyl ether 0.01
    tert-amyl alcohol 0.17
    acetylacetone 0.56
    n-hexadecane 0.0
    acetophenone 0.48
    methyl propionate 0.81
    isopentyl acetate 0.13
    trichloroethylene 1.17
    n-nonanol 0.04
    cyclohexanol 0.1
    benzyl alcohol 0.24
    2-ethylhexanol 0.05
    isooctanol 0.03
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.17
    ethyl lactate 0.5
    propylene carbonate 1.2
    n-methylformamide 13.44
    2-pentanol 0.06
    n-pentane 0.01
    1-propoxy-2-propanol 0.63
    1-methoxy-2-propyl acetate 0.62
    2-(2-methoxypropoxy) propanol 0.92
    mesitylene 0.05
    ε-caprolactone 0.92
    p-cymene 0.08
    epichlorohydrin 1.57
    1,1,1-trichloroethane 0.14
    2-aminoethanol 1.94
    morpholine-4-carbaldehyde 9.8
    sulfolane 27.29
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.23
    n-hexyl acetate 0.09
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.56
    sec-butyl acetate 0.05
    tert-butyl acetate 0.12
    decalin 0.01
    glycerin 4.55
    diglyme 1.37
    acrylic acid 2.93
    isopropyl myristate 0.03
    n-butyric acid 0.7
    acetyl acetate 0.14
    di(2-ethylhexyl) phthalate 0.13
    ethyl propionate 0.19
    nitromethane 6.37
    1,2-diethoxyethane 0.1
    benzonitrile 0.17
    trioctyl phosphate 0.08
    1-bromopropane 0.13
    gamma-valerolactone 4.9
    n-decanol 0.03
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.02
    propionitrile 0.23
    vinylene carbonate 1.41
    1,1,2-trichlorotrifluoroethane 6.51
    DMS 0.34
    cumene 0.04
    2-octanol 0.02
    2-hexanone 0.13
    octyl acetate 0.05
    limonene 0.11
    1,2-dimethoxyethane 0.91
    ethyl orthosilicate 0.23
    tributyl phosphate 0.13
    diacetone alcohol 0.54
    N,N-dimethylaniline 0.31
    acrylonitrile 0.83
    aniline 0.29
    1,3-propanediol 0.98
    bromobenzene 0.08
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 0.84
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.36
    diisobutyl methanol 0.04
    2-phenylethanol 0.18
    styrene 0.06
    dioctyl adipate 0.11
    dimethyl sulfate 6.86
    ethyl butyrate 0.26
    methyl lactate 2.43
    butyl lactate 0.33
    diethyl carbonate 0.21
    propanediol butyl ether 0.43
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 0.56
    morpholine 0.45
    tert-butylamine 0.06
    n-dodecanol 0.02
    dimethoxymethane 2.3
    ethylene carbonate 0.57
    cyrene 1.89
    2-ethoxyethyl acetate 0.17
    2-ethylhexyl acetate 0.11
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 0.64
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.04
    DEF 2.02
    dimethyl isosorbide 1.92
    tetrachloroethylene 0.71
    eugenol 0.56
    triacetin 0.34
    span 80 0.41
    1,4-butanediol 0.21
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.04
    methyl formate 5.99
    2-methyl-1-butanol 0.12
    n-decane 0.0
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.21
    tetrahydropyran 0.09
    tert-amyl methyl ether 0.11
    2,5,8-trioxanonane 1.16
    1-hexene 0.03
    2-isopropoxyethanol 0.18
    2,2,2-trifluoroethanol 2.19
    methyl butyrate 0.34

    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