Beta-Alanine Diacetic Acid

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  • Identifiers

    CAS number
    6245-75-6

    Molecular formula
    C7H11NO6

    SMILES
    C(CN(CC(=O)O)CC(=O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.19%
    Savory 28.12%
    Sweet 26.75%
    Sour 25.5%
    Meaty 21.99%
    Clean 18.46%
    Cooked 17.93%
    Milky 16.83%
    Alcoholic 16.7%
    Buttery 16.45%

     

    Flavor
    Odorless 73.31%
    Mild 38.13%
    Very mild 31.64%
    Sour 30.89%
    Bland 28.72%
    Yeast 25.17%
    Faint 22.76%
    Nutty 21.93%
    Sweet-like 21.7%
    Acidic 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.3

    pKa est.
    4.43 (weak acid)

    Molecular weight
    205.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 253.06 ˚C est.

  • Synonyms

    • 6245-75-6
    • beta-alanine diacetic acid
    • N,N-Bis(carboxymethyl)-beta-alanine
    • .beta.-Alanine, N,N-bis(carboxymethyl)-
    • KOU355F9Z2
    • NITRILO(3-PROPIONIC)DIACETIC ACID
    • TRILON GS
    • EINECS 228-360-6
    • DTXSID8074607
    • .BETA.-ALANINE DIACETIC ACID
    • beta-Alanine, N,N-bis(carboxymethyl)-
    • N,N-BIS(CARBOXYMETHYL)-.BETA.-ALANINE
    • 3-(BIS(CARBOXYMETHYL)AMINO)PROPIONIC ACID
    • ACETIC ACID, 2,2'-((2-CARBOXYETHYL)IMINO)BIS-
    • RefChem:567111
    • DTXCID9043352
    • BETA-ALANINE DIACETIC ACID [INCI]
    • 228-360-6
    • N-(2-Carboxyethyl)iminodiacetic acid
    • N-(2-CARBOXYETHYL)IMINODIACETICACID
    • 3-[bis(carboxymethyl)amino]propanoic acid
    • MFCD00059634
    • UNII-KOU355F9Z2
    • Nitrilodiacetic-propionic Acid
    • SCHEMBL136092
    • SCHEMBL10606457
    • 3-carboxymethyl-3-Azahexanedioic acid
    • AKOS015836275
    • N,N-Bis(carboxymethyl)-beta-alanine #
    • BS-49239
    • SY052395
    • CS-0158340
    • N0408
    • NS00013409
    • D91700
    • F842826
    • Q17128124
    • 2,2 inverted exclamation mark -[(2-Carboxyethyl)azanediyl]diacetic Acid
    • 6245-75-6

  • Applications

    Beta-Alanine Diacetic Acid (CAS 6245-75-6) is typically used as an intermediate and building block in chemical synthesis. In industrial manufacturing, it provides a versatile precursor for specialty chemicals; in polymers and plastics, it can be incorporated as a functionalized monomer or co-monomer for polymer formulations; in coatings and inks, it may act as a stabilizing or crosslinking additive; in pharmaceuticals, it is commonly evaluated as a synthetic intermediate for drug candidates or protected beta-alanine derivatives; in cleaning formulations, it may serve as a buffering or chelating agent to improve metal sequestration and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.59
    methanol 70.51
    isopropanol 4.65
    water 72.4
    ethyl acetate 0.78
    n-propanol 8.72
    acetone 5.82
    n-butanol 3.75
    acetonitrile 1.16
    DMF 144.53
    toluene 0.18
    isobutanol 3.17
    1,4-dioxane 1.03
    methyl acetate 1.67
    THF 5.08
    2-butanone 3.88
    n-pentanol 1.25
    sec-butanol 3.62
    n-hexane 0.17
    ethylene glycol 39.45
    NMP 109.75
    cyclohexane 0.09
    DMSO 266.36
    n-butyl acetate 0.85
    n-octanol 0.55
    chloroform 0.34
    n-propyl acetate 0.41
    acetic acid 12.6
    dichloromethane 0.65
    cyclohexanone 3.32
    propylene glycol 26.82
    isopropyl acetate 0.42
    DMAc 88.96
    2-ethoxyethanol 8.1
    isopentanol 1.8
    n-heptane 0.17
    ethyl formate 4.04
    1,2-dichloroethane 0.82
    n-hexanol 1.49
    2-methoxyethanol 39.1
    isobutyl acetate 0.1
    tetrachloromethane 0.31
    n-pentyl acetate 0.37
    transcutol 5.8
    n-heptanol 0.68
    ethylbenzene 0.16
    MIBK 0.84
    2-propoxyethanol 6.39
    tert-butanol 4.22
    MTBE 0.7
    2-butoxyethanol 2.42
    propionic acid 9.84
    o-xylene 0.43
    formic acid 99.86
    diethyl ether 0.72
    m-xylene 0.2
    p-xylene 0.18
    chlorobenzene 0.11
    dimethyl carbonate 2.35
    n-octane 0.05
    formamide 94.96
    cyclopentanone 6.62
    2-pentanone 2.06
    anisole 0.42
    cyclopentyl methyl ether 1.4
    gamma-butyrolactone 9.44
    1-methoxy-2-propanol 14.56
    pyridine 1.59
    3-pentanone 2.05
    furfural 11.68
    n-dodecane 0.02
    diethylene glycol 13.81
    diisopropyl ether 0.15
    tert-amyl alcohol 3.87
    acetylacetone 1.8
    n-hexadecane 0.02
    acetophenone 1.04
    methyl propionate 2.61
    isopentyl acetate 0.57
    trichloroethylene 0.94
    n-nonanol 0.5
    cyclohexanol 1.42
    benzyl alcohol 0.95
    2-ethylhexanol 0.67
    isooctanol 0.39
    dipropyl ether 0.72
    1,2-dichlorobenzene 0.21
    ethyl lactate 1.87
    propylene carbonate 2.72
    n-methylformamide 75.91
    2-pentanol 1.3
    n-pentane 0.17
    1-propoxy-2-propanol 3.45
    1-methoxy-2-propyl acetate 1.53
    2-(2-methoxypropoxy) propanol 3.77
    mesitylene 0.18
    ε-caprolactone 2.97
    p-cymene 0.28
    epichlorohydrin 3.61
    1,1,1-trichloroethane 0.29
    2-aminoethanol 41.49
    morpholine-4-carbaldehyde 26.26
    sulfolane 40.26
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 1.69
    n-hexyl acetate 0.51
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 3.31
    sec-butyl acetate 0.18
    tert-butyl acetate 0.57
    decalin 0.05
    glycerin 60.98
    diglyme 5.07
    acrylic acid 13.93
    isopropyl myristate 0.18
    n-butyric acid 4.2
    acetyl acetate 0.37
    di(2-ethylhexyl) phthalate 0.64
    ethyl propionate 0.68
    nitromethane 16.98
    1,2-diethoxyethane 0.44
    benzonitrile 0.39
    trioctyl phosphate 0.53
    1-bromopropane 0.38
    gamma-valerolactone 12.42
    n-decanol 0.34
    triethyl phosphate 0.89
    4-methyl-2-pentanol 0.56
    propionitrile 1.37
    vinylene carbonate 2.81
    1,1,2-trichlorotrifluoroethane 14.83
    DMS 0.77
    cumene 0.15
    2-octanol 0.31
    2-hexanone 0.73
    octyl acetate 0.32
    limonene 0.43
    1,2-dimethoxyethane 6.14
    ethyl orthosilicate 0.67
    tributyl phosphate 0.6
    diacetone alcohol 3.29
    N,N-dimethylaniline 0.92
    acrylonitrile 2.86
    aniline 0.77
    1,3-propanediol 21.18
    bromobenzene 0.08
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 1.06
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 1.41
    diisobutyl methanol 0.38
    2-phenylethanol 0.84
    styrene 0.13
    dioctyl adipate 0.43
    dimethyl sulfate 10.3
    ethyl butyrate 0.78
    methyl lactate 8.22
    butyl lactate 1.62
    diethyl carbonate 0.52
    propanediol butyl ether 3.72
    triethyl orthoformate 0.69
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 1.62
    morpholine 3.49
    tert-butylamine 1.47
    n-dodecanol 0.22
    dimethoxymethane 12.83
    ethylene carbonate 1.57
    cyrene 7.0
    2-ethoxyethyl acetate 0.56
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 0.29
    4-methylpyridine 1.24
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.38
    DEF 8.3
    dimethyl isosorbide 5.04
    tetrachloroethylene 1.22
    eugenol 2.09
    triacetin 0.88
    span 80 2.23
    1,4-butanediol 5.53
    1,1-dichloroethane 0.3
    2-methyl-1-pentanol 0.78
    methyl formate 30.63
    2-methyl-1-butanol 2.46
    n-decane 0.04
    butyronitrile 0.86
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.13
    1-chlorotetradecane 0.04
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 2.89
    tetrahydropyran 0.74
    tert-amyl methyl ether 1.05
    2,5,8-trioxanonane 4.22
    1-hexene 0.29
    2-isopropoxyethanol 1.89
    2,2,2-trifluoroethanol 10.04
    methyl butyrate 1.18

    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