D-Gluconic acid, 6-(2,2-bis(bis(1-methylethyl)amino)acetate)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13149-69-4

    Molecular formula
    C20H40N2O8

    SMILES
    CC(C)N(C(C)C)C(C(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)N(C(C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.77%
    Cooling 37.43%
    Mint 27.72%
    Savory 26.71%
    Milky 21.52%
    Alcoholic 17.85%
    Sweet 17.15%
    Fishy 16.57%
    Bitter 15.59%
    Woody 13.57%

     

    Flavor
    Odorless 48.72%
    Bland 35.12%
    Bitter 33.24%
    Mild 26.47%
    Sweet-like 23.4%
    Yeasty 19.13%
    Cedarleaf 18.93%
    Nitrile 18.73%
    Oriental 18.37%
    Bloody 18.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    4.24 (weak acid)

    Molecular weight
    436.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    771°C

    Flash point

    • 238.19 ˚C est.

  • Synonyms

    • 13149-69-4
    • 6-(Bis(bis(isopropyl)amino)acetate)-D-gluconic acid
    • DTXSID801019816
    • RefChem:1082883
    • DTXCID001477701
    • D-Gluconic acid, 6-(2,2-bis(bis(1-methylethyl)amino)acetate)
    • 236-088-4
    • Dimethyl-amino-acetylgluconic acid
    • (2R,3S,4R,5R)-6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
    • Kyselina pangamova
    • Kyselina pangamova [Czech]
    • (2R,3S,4R,5R)-6-(2,2-Bis(diisopropylamino)acetoxy)-2,3,4,5-tetrahydroxyhexanoic acid
    • EINECS 236-088-4
    • D-Gluconic acid, 6-(bis(1-methylethyl)amino)acetate)
    • (2R,3S,4R,5R)-6-({2,2-bis[bis(propan-2-yl)amino]acetyl}oxy)-2,3,4,5-tetrahydroxyhexanoic acid
    • 6-[bis[bis-(Isopropyl)amino]acetate]-D-gluconic acid
    • CHEBI:172677
    • RVSTWRHIGKXTLG-WCXIOVBPSA-N
    • 6-O-{Bis[di(propan-2-yl)amino]acetyl}-D-gluconic acid
    • 13149-69-4

  • Applications

    D-Gluconic acid, 6-(2,2-bis(bis(1-methylethyl)amino)acetate) (CAS 13149-69-4) is a gluconic acid derivative commonly used as an intermediate and building block in pharmaceutical and fine chemical synthesis; it is often employed as a chelating and metal-complexing agent in cleaning formulations and metal surface finishing; in cosmetics and personal care, it serves as a stabilizer and chelating agent to improve formulation stability; in the polymer and coatings sector, it provides a backbone for specialty polymers and coatings; and in agriculture, it may act as a chelating agent for micronutrients used in fertilizers and foliar sprays.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.43
    methanol 27.63
    isopropanol 4.99
    water 20.74
    ethyl acetate 0.94
    n-propanol 9.27
    acetone 4.09
    n-butanol 4.8
    acetonitrile 1.41
    DMF 17.15
    toluene 0.75
    isobutanol 4.15
    1,4-dioxane 8.17
    methyl acetate 1.77
    THF 9.68
    2-butanone 3.12
    n-pentanol 6.04
    sec-butanol 4.34
    n-hexane 0.31
    ethylene glycol 20.66
    NMP 45.21
    cyclohexane 0.57
    DMSO 76.84
    n-butyl acetate 1.14
    n-octanol 1.38
    chloroform 2.31
    n-propyl acetate 1.34
    acetic acid 20.87
    dichloromethane 3.05
    cyclohexanone 8.18
    propylene glycol 16.07
    isopropyl acetate 0.58
    DMAc 24.15
    2-ethoxyethanol 21.22
    isopentanol 2.51
    n-heptane 0.24
    ethyl formate 3.83
    1,2-dichloroethane 2.85
    n-hexanol 3.04
    2-methoxyethanol 26.32
    isobutyl acetate 0.71
    tetrachloromethane 1.04
    n-pentyl acetate 1.28
    transcutol 10.28
    n-heptanol 2.09
    ethylbenzene 0.76
    MIBK 0.79
    2-propoxyethanol 10.25
    tert-butanol 3.16
    MTBE 0.81
    2-butoxyethanol 7.62
    propionic acid 7.98
    o-xylene 0.89
    formic acid 47.32
    diethyl ether 0.97
    m-xylene 0.52
    p-xylene 1.07
    chlorobenzene 0.92
    dimethyl carbonate 1.13
    n-octane 0.15
    formamide 36.61
    cyclopentanone 9.22
    2-pentanone 1.62
    anisole 1.06
    cyclopentyl methyl ether 2.18
    gamma-butyrolactone 12.65
    1-methoxy-2-propanol 8.85
    pyridine 5.39
    3-pentanone 1.6
    furfural 14.34
    n-dodecane 0.07
    diethylene glycol 16.88
    diisopropyl ether 0.24
    tert-amyl alcohol 3.53
    acetylacetone 1.88
    n-hexadecane 0.08
    acetophenone 2.48
    methyl propionate 1.63
    isopentyl acetate 0.93
    trichloroethylene 3.28
    n-nonanol 1.34
    cyclohexanol 4.82
    benzyl alcohol 5.01
    2-ethylhexanol 1.26
    isooctanol 1.31
    dipropyl ether 0.82
    1,2-dichlorobenzene 0.97
    ethyl lactate 2.78
    propylene carbonate 4.57
    n-methylformamide 14.11
    2-pentanol 1.59
    n-pentane 0.24
    1-propoxy-2-propanol 4.17
    1-methoxy-2-propyl acetate 1.63
    2-(2-methoxypropoxy) propanol 4.26
    mesitylene 0.34
    ε-caprolactone 9.22
    p-cymene 0.47
    epichlorohydrin 8.41
    1,1,1-trichloroethane 0.92
    2-aminoethanol 25.13
    morpholine-4-carbaldehyde 26.05
    sulfolane 35.43
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 4.7
    n-hexyl acetate 1.2
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 7.08
    sec-butyl acetate 0.65
    tert-butyl acetate 0.61
    decalin 0.25
    glycerin 28.73
    diglyme 8.72
    acrylic acid 9.89
    isopropyl myristate 0.37
    n-butyric acid 4.81
    acetyl acetate 0.68
    di(2-ethylhexyl) phthalate 1.39
    ethyl propionate 1.01
    nitromethane 10.06
    1,2-diethoxyethane 1.94
    benzonitrile 1.83
    trioctyl phosphate 1.01
    1-bromopropane 1.15
    gamma-valerolactone 24.49
    n-decanol 0.92
    triethyl phosphate 1.06
    4-methyl-2-pentanol 0.74
    propionitrile 1.25
    vinylene carbonate 4.19
    1,1,2-trichlorotrifluoroethane 16.98
    DMS 1.34
    cumene 0.6
    2-octanol 0.98
    2-hexanone 2.09
    octyl acetate 0.71
    limonene 0.65
    1,2-dimethoxyethane 10.74
    ethyl orthosilicate 1.01
    tributyl phosphate 0.89
    diacetone alcohol 2.71
    N,N-dimethylaniline 1.46
    acrylonitrile 2.04
    aniline 2.11
    1,3-propanediol 19.55
    bromobenzene 0.63
    dibromomethane 2.21
    1,1,2,2-tetrachloroethane 4.03
    2-methyl-cyclohexyl acetate 1.45
    tetrabutyl urea 1.84
    diisobutyl methanol 0.47
    2-phenylethanol 2.9
    styrene 0.69
    dioctyl adipate 1.0
    dimethyl sulfate 3.66
    ethyl butyrate 0.91
    methyl lactate 3.85
    butyl lactate 2.58
    diethyl carbonate 0.66
    propanediol butyl ether 7.56
    triethyl orthoformate 1.05
    p-tert-butyltoluene 0.41
    methyl 4-tert-butylbenzoate 2.04
    morpholine 12.26
    tert-butylamine 1.2
    n-dodecanol 0.61
    dimethoxymethane 4.85
    ethylene carbonate 3.57
    cyrene 14.96
    2-ethoxyethyl acetate 2.25
    2-ethylhexyl acetate 0.85
    1,2,4-trichlorobenzene 1.52
    4-methylpyridine 2.9
    dibutyl ether 0.58
    2,6-dimethyl-4-heptanol 0.47
    DEF 3.75
    dimethyl isosorbide 6.95
    tetrachloroethylene 3.87
    eugenol 3.19
    triacetin 1.79
    span 80 4.96
    1,4-butanediol 16.36
    1,1-dichloroethane 1.1
    2-methyl-1-pentanol 3.83
    methyl formate 9.09
    2-methyl-1-butanol 3.38
    n-decane 0.13
    butyronitrile 1.37
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.4
    1-chlorotetradecane 0.17
    n-nonane 0.13
    undecane 0.09
    tert-butylcyclohexane 0.16
    cyclooctane 0.2
    cyclopentanol 8.15
    tetrahydropyran 3.81
    tert-amyl methyl ether 1.03
    2,5,8-trioxanonane 6.61
    1-hexene 0.72
    2-isopropoxyethanol 8.53
    2,2,2-trifluoroethanol 10.58
    methyl butyrate 1.83

    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