Diammonium (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))ferrate(2-)

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  • Identifiers

    CAS number
    85959-68-8

    Molecular formula
    C14H26FeN5O10

    SMILES
    C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[Fe+3]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.92%
    Sweet 35.04%
    Savory 26.63%
    Fishy 23.72%
    Alcoholic 18.68%
    Oily 15.16%
    Cooling 14.82%
    Meaty 14.78%
    Cooked 13.49%
    Clean 13.4%

     

    Flavor
    Odorless 58.06%
    Bitter 45.85%
    Bland 32.84%
    Mild 27.86%
    Sweet-like 21.51%
    Very mild 21.13%
    Yeast 19.84%
    Nitrile 18.94%
    Bread crust 18.51%
    Faint 18.39%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -3.99 (strong acid)

    Molecular weight
    480.23 g/mol

    Flash point

    • 330.44 ˚C est.

  • Synonyms

    • Diammonium [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
    • Ferrate(2-), (rel-(N(R))-N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-((S)-((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN,kappaO)-, ammonium (1:2), (PB-7-13-12564)-
    • Diammonium (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))ferrate(2-)
    • Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-kappaO)methyl]amino-kappaN]ethyl]-N-[2-[(S)-[(carboxy-kappaO)methyl](carboxymethyl)amino-kappaN]ethyl]glycinato(5-)-kappaN,kappaO]-, ammonium (1:2), (PB-7-13-12564)-
    • RefChem:586235
    • 289-064-0
    • Ferrate(2-), [rel-[N(R)]-N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[(S)-[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N,.kappa.O]-, ammonium (1:2), (PB-7-13-12564)-
    • Diammonium ferric pentetate
    • 85959-68-8
    • SS66M65PYG
    • diazanium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;iron(3+)
    • EINECS 289-064-0
    • UNII-SS66M65PYG
    • VERYFER
    • EC 289-064-0
    • SCHEMBL275096
    • Ferrate(2-), (rel-(N(R))-N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-((S)-((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN,kappaO)-, diammonium, (PB-7-13-12564)-
    • NS00078474
    • Q27289364
    • 85959-68-8

  • Applications

    Diammonium (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))ferrate(2-) (CAS 85959-68-8) is a multidentate iron(II) complex that may be used as a chelating and stabilizing agent in several industrial contexts. It can serve as a metal chelate/sequestering agent in cleaning formulations and in water treatment to complex trace metals; act as a catalyst precursor or redox mediator in organic and inorganic syntheses; function as a building block for coordination polymers and metal–organic frameworks or as a precursor to ferrite materials for electronics, coatings, or thick-film formulations; and be evaluated as a colorant or pigment intermediate in coatings and inks. Its actual use depends on formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.43
    methanol 2.45
    isopropanol 0.09
    water 0.61
    ethyl acetate 0.08
    n-propanol 0.22
    acetone 0.34
    n-butanol 0.09
    acetonitrile 0.15
    DMF 17.38
    toluene 0.05
    isobutanol 0.08
    1,4-dioxane 0.07
    methyl acetate 0.2
    THF 0.43
    2-butanone 0.3
    n-pentanol 0.04
    sec-butanol 0.07
    n-hexane 0.0
    ethylene glycol 0.81
    NMP 30.85
    cyclohexane 0.0
    DMSO 27.48
    n-butyl acetate 0.07
    n-octanol 0.02
    chloroform 0.21
    n-propyl acetate 0.05
    acetic acid 1.79
    dichloromethane 0.45
    cyclohexanone 0.43
    propylene glycol 0.64
    isopropyl acetate 0.04
    DMAc 14.69
    2-ethoxyethanol 0.42
    isopentanol 0.04
    n-heptane 0.0
    ethyl formate 0.37
    1,2-dichloroethane 0.27
    n-hexanol 0.02
    2-methoxyethanol 2.49
    isobutyl acetate 0.02
    tetrachloromethane 0.04
    n-pentyl acetate 0.03
    transcutol 0.71
    n-heptanol 0.02
    ethylbenzene 0.02
    MIBK 0.05
    2-propoxyethanol 0.39
    tert-butanol 0.05
    MTBE 0.02
    2-butoxyethanol 0.18
    propionic acid 0.73
    o-xylene 0.07
    formic acid 9.15
    diethyl ether 0.03
    m-xylene 0.03
    p-xylene 0.03
    chlorobenzene 0.04
    dimethyl carbonate 0.41
    n-octane 0.0
    formamide 12.55
    cyclopentanone 1.0
    2-pentanone 0.12
    anisole 0.06
    cyclopentyl methyl ether 0.1
    gamma-butyrolactone 2.1
    1-methoxy-2-propanol 0.87
    pyridine 0.46
    3-pentanone 0.18
    furfural 3.66
    n-dodecane 0.0
    diethylene glycol 0.71
    diisopropyl ether 0.0
    tert-amyl alcohol 0.07
    acetylacetone 0.24
    n-hexadecane 0.0
    acetophenone 0.21
    methyl propionate 0.34
    isopentyl acetate 0.04
    trichloroethylene 0.61
    n-nonanol 0.02
    cyclohexanol 0.05
    benzyl alcohol 0.12
    2-ethylhexanol 0.02
    isooctanol 0.01
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.07
    ethyl lactate 0.24
    propylene carbonate 0.52
    n-methylformamide 7.21
    2-pentanol 0.02
    n-pentane 0.0
    1-propoxy-2-propanol 0.24
    1-methoxy-2-propyl acetate 0.2
    2-(2-methoxypropoxy) propanol 0.36
    mesitylene 0.02
    ε-caprolactone 0.42
    p-cymene 0.02
    epichlorohydrin 0.89
    1,1,1-trichloroethane 0.06
    2-aminoethanol 1.1
    morpholine-4-carbaldehyde 5.18
    sulfolane 12.74
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.11
    n-hexyl acetate 0.03
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.26
    sec-butyl acetate 0.02
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 2.61
    diglyme 0.72
    acrylic acid 1.59
    isopropyl myristate 0.01
    n-butyric acid 0.34
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.08
    nitromethane 3.6
    1,2-diethoxyethane 0.04
    benzonitrile 0.08
    trioctyl phosphate 0.03
    1-bromopropane 0.07
    gamma-valerolactone 3.06
    n-decanol 0.01
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.01
    propionitrile 0.13
    vinylene carbonate 0.77
    1,1,2-trichlorotrifluoroethane 3.74
    DMS 0.13
    cumene 0.02
    2-octanol 0.01
    2-hexanone 0.06
    octyl acetate 0.02
    limonene 0.03
    1,2-dimethoxyethane 0.55
    ethyl orthosilicate 0.09
    tributyl phosphate 0.05
    diacetone alcohol 0.21
    N,N-dimethylaniline 0.12
    acrylonitrile 0.44
    aniline 0.14
    1,3-propanediol 0.58
    bromobenzene 0.04
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.46
    2-methyl-cyclohexyl acetate 0.06
    tetrabutyl urea 0.13
    diisobutyl methanol 0.01
    2-phenylethanol 0.06
    styrene 0.03
    dioctyl adipate 0.04
    dimethyl sulfate 3.13
    ethyl butyrate 0.1
    methyl lactate 1.11
    butyl lactate 0.14
    diethyl carbonate 0.08
    propanediol butyl ether 0.21
    triethyl orthoformate 0.09
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.21
    morpholine 0.27
    tert-butylamine 0.02
    n-dodecanol 0.01
    dimethoxymethane 1.17
    ethylene carbonate 0.3
    cyrene 0.97
    2-ethoxyethyl acetate 0.07
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.31
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.81
    dimethyl isosorbide 0.73
    tetrachloroethylene 0.37
    eugenol 0.23
    triacetin 0.14
    span 80 0.16
    1,4-butanediol 0.13
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.02
    methyl formate 3.38
    2-methyl-1-butanol 0.06
    n-decane 0.0
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.01
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.11
    tetrahydropyran 0.05
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 0.53
    1-hexene 0.02
    2-isopropoxyethanol 0.1
    2,2,2-trifluoroethanol 1.23
    methyl butyrate 0.16

    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