1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid

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  • Identifiers

    CAS number
    482-54-2

    Molecular formula
    C14H22N2O8

    SMILES
    C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.12%
    Sweet 31.85%
    Savory 26.82%
    Meaty 18.97%
    Alcoholic 17.41%
    Fishy 17.31%
    Cooked 16.71%
    Milky 16.11%
    Cooling 15.75%
    Clean 15.71%

     

    Flavor
    Odorless 67.3%
    Mild 37.31%
    Bitter 35.08%
    Bland 31.16%
    Very mild 26.74%
    Yeast 23.68%
    Sweet-like 22.53%
    Faint 21.86%
    Sour 20.04%
    Nitrile 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.5

    pKa est.
    3.45 (weak acid)

    Molecular weight
    346.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 286.23 ˚C est.

  • Synonyms

    • 482-54-2
    • CyDTA
    • OCTA
    • Komplexon IV
    • Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-
    • Cyclohexanediamine tetraacetic acid
    • o-Cyclohexanediaminetetraacetic acid
    • CHEL 600
    • 1,2-Cyclohexanediaminetetraacetic acid
    • 1,2-Diaminocyclohexanetetraacetic acid
    • 1,2-Cyclohexylenediaminetetraacetic acid
    • 1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
    • DTXSID80862002
    • Glycine, N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)-
    • RefChem:1052219
    • DTXCID10810839
    • 207-582-7
    • 1,2-Cyclohexylenedinitrilotetraacetic acid
    • CDTA
    • CGTA
    • (1,2-CYCLOHEXYLENEDINITRILO)TETRAACETIC ACID
    • 2,2',2'',2'''-(Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid
    • MFCD00066429
    • 123333-90-4
    • 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
    • Cyclohexane-1,2-diaminetetraacetic acid
    • 1,N'-tetraacetic acid
    • C14H22N2O8
    • 2-({2-[bis(carboxymethyl)amino]cyclohexyl}(carboxymethyl)amino)acetic acid
    • DCTA
    • 1,N,N',N'-tetraacetic acid
    • WLN: L6TJ AN1VQ1VQ BN1VQ1VQ
    • Acetic acid,2-cyclohexylenedinitrilo)tetra-
    • EINECS 207-582-7
    • Glycine,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-
    • NSC 529593
    • NSC-7339
    • Cyclohex-1,2-ylenediaminetetra(acetic acid)
    • 2-[[2-(Bis(carboxymethyl)amino)cyclohexyl]-(carboxymethyl)amino]acetic acid
    • 1,2-Diaminocyclohexane-N,N'-tetraacetic acid
    • NSC-529593
    • Kyselina 1,2-cyklohexylendiamintetraoctova [Czech]
    • 1,2-Cyclohexanediamine-N,N,N',N'-tetraacetic acid
    • 1,2-Cyclohexylenedinitrilotetraaceticacid
    • Kyselina 1,2-cyklohexylendiamintetraoctova
    • Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-
    • CBDivE_014740
    • 18763-65-0
    • SCHEMBL367170
    • orb1705376
    • NSC7339
    • CHEBI:188859
    • Glycine, N,N(sup 1)-1,2-cyclohexanediylbis(N-(carboxymethyl)-
    • NSC529593
    • SBB008918
    • AKOS001695975
    • AKOS016842375
    • HY-W102714
    • NCGC00342298-01
    • DA-52225
    • DS-12593
    • SY112606
    • DB-051537
    • DS-012751
    • CS-0155356
    • UNM000000709501
    • O10552
    • AB01333215-02
    • F317941
    • SR-01000086307
    • SR-01000086307-1
    • 1,2-Diaminocyclohexanetetraacetic acid tetrasodium salt solution
    • 2,2',2'',2'''-(Cyclohexane-1,2-diyldinitrilo)tetraacetic acid
    • 2,2',2'',2'''-(Cyclohexane-1,2-diy-lbis(azanetriyl))tetraacetic acid
    • Glycine,N,N'-trans-1,2-cyclohexanediylbis[n-(carboxymethyl)-,hydrate(9ci)
    • 2((carboxymethyl){2[(carboxymethyl)(2hydroxy2oxoethyl)amino]cyclohexyl}amino)acetic acid
    • 2,2 inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark inverted exclamation mark -[Cyclohexane-1,2-diylbis(azanetriyl)]tetraacetic Acid
    • 482-54-2

  • Applications

    1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid is principally used as a metal-chelating agent to sequester metal ions and improve stability and performance of formulations. Typical applications include detergents and household cleaners; cosmetics and personal care; textile processing and dyeing; polymer and plastics processing as a stabilizer/processing aid; and in metal finishing or electroplating to control free metal ions and reduce corrosion. It may also be evaluated for agricultural use as a chelating agent for micronutrient delivery; use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 1.1
    isopropanol 0.03
    water 3.47
    ethyl acetate 0.04
    n-propanol 0.08
    acetone 0.03
    n-butanol 0.04
    acetonitrile 0.02
    DMF 4.4
    toluene 0.04
    isobutanol 0.04
    1,4-dioxane 0.02
    methyl acetate 0.05
    THF 0.12
    2-butanone 0.05
    n-pentanol 0.03
    sec-butanol 0.04
    n-hexane 0.01
    ethylene glycol 1.14
    NMP 36.75
    cyclohexane 0.01
    DMSO 12.48
    n-butyl acetate 0.08
    n-octanol 0.03
    chloroform 0.05
    n-propyl acetate 0.03
    acetic acid 0.98
    dichloromethane 0.08
    cyclohexanone 0.23
    propylene glycol 0.8
    isopropyl acetate 0.03
    DMAc 7.47
    2-ethoxyethanol 0.29
    isopentanol 0.03
    n-heptane 0.01
    ethyl formate 0.08
    1,2-dichloroethane 0.06
    n-hexanol 0.05
    2-methoxyethanol 1.11
    isobutyl acetate 0.01
    tetrachloromethane 0.02
    n-pentyl acetate 0.04
    transcutol 0.91
    n-heptanol 0.05
    ethylbenzene 0.04
    MIBK 0.04
    2-propoxyethanol 0.68
    tert-butanol 0.03
    MTBE 0.01
    2-butoxyethanol 0.32
    propionic acid 0.52
    o-xylene 0.1
    formic acid 13.06
    diethyl ether 0.01
    m-xylene 0.06
    p-xylene 0.04
    chlorobenzene 0.02
    dimethyl carbonate 0.31
    n-octane 0.0
    formamide 9.54
    cyclopentanone 0.43
    2-pentanone 0.05
    anisole 0.04
    cyclopentyl methyl ether 0.15
    gamma-butyrolactone 1.28
    1-methoxy-2-propanol 0.75
    pyridine 0.17
    3-pentanone 0.09
    furfural 2.09
    n-dodecane 0.0
    diethylene glycol 1.43
    diisopropyl ether 0.01
    tert-amyl alcohol 0.06
    acetylacetone 0.1
    n-hexadecane 0.0
    acetophenone 0.2
    methyl propionate 0.21
    isopentyl acetate 0.06
    trichloroethylene 0.15
    n-nonanol 0.03
    cyclohexanol 0.08
    benzyl alcohol 0.12
    2-ethylhexanol 0.05
    isooctanol 0.03
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.06
    ethyl lactate 0.33
    propylene carbonate 0.51
    n-methylformamide 2.47
    2-pentanol 0.03
    n-pentane 0.01
    1-propoxy-2-propanol 0.56
    1-methoxy-2-propyl acetate 0.41
    2-(2-methoxypropoxy) propanol 0.56
    mesitylene 0.05
    ε-caprolactone 0.42
    p-cymene 0.07
    epichlorohydrin 0.29
    1,1,1-trichloroethane 0.02
    2-aminoethanol 1.22
    morpholine-4-carbaldehyde 4.65
    sulfolane 15.5
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.06
    n-hexyl acetate 0.04
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.41
    sec-butyl acetate 0.03
    tert-butyl acetate 0.05
    decalin 0.01
    glycerin 6.16
    diglyme 0.66
    acrylic acid 1.46
    isopropyl myristate 0.01
    n-butyric acid 0.26
    acetyl acetate 0.04
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.08
    nitromethane 0.89
    1,2-diethoxyethane 0.03
    benzonitrile 0.05
    trioctyl phosphate 0.05
    1-bromopropane 0.02
    gamma-valerolactone 1.57
    n-decanol 0.02
    triethyl phosphate 0.25
    4-methyl-2-pentanol 0.02
    propionitrile 0.03
    vinylene carbonate 0.58
    1,1,2-trichlorotrifluoroethane 3.83
    DMS 0.2
    cumene 0.04
    2-octanol 0.02
    2-hexanone 0.03
    octyl acetate 0.02
    limonene 0.08
    1,2-dimethoxyethane 0.17
    ethyl orthosilicate 0.19
    tributyl phosphate 0.08
    diacetone alcohol 0.31
    N,N-dimethylaniline 0.19
    acrylonitrile 0.11
    aniline 0.12
    1,3-propanediol 0.38
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.18
    diisobutyl methanol 0.04
    2-phenylethanol 0.12
    styrene 0.03
    dioctyl adipate 0.04
    dimethyl sulfate 3.23
    ethyl butyrate 0.11
    methyl lactate 1.54
    butyl lactate 0.33
    diethyl carbonate 0.08
    propanediol butyl ether 0.48
    triethyl orthoformate 0.16
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 0.44
    morpholine 0.1
    tert-butylamine 0.02
    n-dodecanol 0.01
    dimethoxymethane 0.47
    ethylene carbonate 0.24
    cyrene 2.05
    2-ethoxyethyl acetate 0.08
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.13
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.54
    dimethyl isosorbide 1.52
    tetrachloroethylene 0.2
    eugenol 0.46
    triacetin 0.19
    span 80 0.39
    1,4-butanediol 0.12
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.03
    methyl formate 0.84
    2-methyl-1-butanol 0.04
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.1
    tetrahydropyran 0.02
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 0.56
    1-hexene 0.02
    2-isopropoxyethanol 0.1
    2,2,2-trifluoroethanol 1.2
    methyl butyrate 0.11

    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