N-(3-Methoxypropyl)-D-gluconamide

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  • Identifiers

    CAS number
    126094-21-1

    Molecular formula
    C10H21NO7

    SMILES
    COCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.47%
    Sweet 41.19%
    Savory 27.94%
    Alcoholic 24.29%
    Cooling 23.65%
    Fishy 21.8%
    Buttery 19.5%
    Milky 19.23%
    Oily 17.63%
    Bitter 16.21%

     

    Flavor
    Odorless 64.14%
    Sweet 39.51%
    Sweet-like 31.3%
    Very mild 25.65%
    Bland 25.29%
    Bitter 22.52%
    Mild 22.51%
    Very slight 21.18%
    Yeast 19.87%
    Cauliflower 19.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.4

    pKa est.
    5.12 (weak acid)

    Molecular weight
    267.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    983°C

    Flash point

    • 245.53 ˚C est.

  • Synonyms

    • 3-Methoxypropylgluconamide
    • 126094-21-1
    • N-(3-Methoxypropyl)-D-gluconamide
    • GON1S528TS
    • N-(3-Methoxypropyl)gluconamide
    • DTXSID90155078
    • RefChem:583726
    • DTXCID5077569
    • Methoxypropylgluconamide
    • (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-methoxypropyl)hexanamide
    • D-Gluconamide, N-(3-methoxypropyl)-
    • UNII-GON1S528TS
    • SCHEMBL1002996
    • QIGYCAMGTSQFGJ-LURQLKTLSA-N
    • Q27279207
    • 126094-21-1

  • Applications

    N-(3-Methoxypropyl)-D-gluconamide (CAS 126094-21-1) is a gluconamide derivative commonly regarded as a building block for the synthesis of specialty chemicals in the chemical industry; it may be used as an intermediate in the manufacture of pharmaceuticals and agrochemicals. Owing to its combination of a sugar-like moiety and a methoxypropyl group, it may serve as a processing aid and plasticizer in polymer formulations and coatings, aiding processing and performance of the resin. It can also function as a surfactant or co-surfactant in household cleaners and personal care products, and may act as a humectant or conditioning agent in cosmetics. It may be evaluated as a solvent or co-solvent in industrial manufacturing, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.21
    methanol 28.79
    isopropanol 0.79
    water 1378.63
    ethyl acetate 0.46
    n-propanol 1.92
    acetone 0.79
    n-butanol 1.23
    acetonitrile 0.61
    DMF 271.05
    toluene 0.25
    isobutanol 0.96
    1,4-dioxane 2.96
    methyl acetate 0.58
    THF 2.14
    2-butanone 0.69
    n-pentanol 0.44
    sec-butanol 1.12
    n-hexane 0.06
    ethylene glycol 210.67
    NMP 221.97
    cyclohexane 0.56
    DMSO 573.8
    n-butyl acetate 0.27
    n-octanol 0.56
    chloroform 0.25
    n-propyl acetate 0.24
    acetic acid 50.58
    dichloromethane 0.36
    cyclohexanone 3.74
    propylene glycol 68.46
    isopropyl acetate 0.34
    DMAc 122.49
    2-ethoxyethanol 12.68
    isopentanol 0.89
    n-heptane 0.21
    ethyl formate 1.28
    1,2-dichloroethane 0.52
    n-hexanol 0.85
    2-methoxyethanol 61.06
    isobutyl acetate 0.14
    tetrachloromethane 0.24
    n-pentyl acetate 0.31
    transcutol 17.06
    n-heptanol 0.84
    ethylbenzene 0.16
    MIBK 0.55
    2-propoxyethanol 6.73
    tert-butanol 1.74
    MTBE 0.36
    2-butoxyethanol 3.93
    propionic acid 9.48
    o-xylene 0.59
    formic acid 893.87
    diethyl ether 0.25
    m-xylene 0.35
    p-xylene 0.19
    chlorobenzene 0.13
    dimethyl carbonate 4.29
    n-octane 0.1
    formamide 463.4
    cyclopentanone 4.76
    2-pentanone 0.62
    anisole 0.43
    cyclopentyl methyl ether 1.74
    gamma-butyrolactone 8.59
    1-methoxy-2-propanol 21.9
    pyridine 1.56
    3-pentanone 0.95
    furfural 15.71
    n-dodecane 0.05
    diethylene glycol 42.63
    diisopropyl ether 0.16
    tert-amyl alcohol 2.08
    acetylacetone 2.31
    n-hexadecane 0.06
    acetophenone 1.18
    methyl propionate 1.84
    isopentyl acetate 0.28
    trichloroethylene 0.78
    n-nonanol 0.55
    cyclohexanol 3.87
    benzyl alcohol 1.67
    2-ethylhexanol 0.53
    isooctanol 0.62
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.24
    ethyl lactate 3.08
    propylene carbonate 3.46
    n-methylformamide 74.16
    2-pentanol 0.63
    n-pentane 0.11
    1-propoxy-2-propanol 3.55
    1-methoxy-2-propyl acetate 1.74
    2-(2-methoxypropoxy) propanol 5.77
    mesitylene 0.36
    ε-caprolactone 4.4
    p-cymene 0.29
    epichlorohydrin 2.39
    1,1,1-trichloroethane 0.17
    2-aminoethanol 91.51
    morpholine-4-carbaldehyde 92.06
    sulfolane 91.52
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 1.06
    n-hexyl acetate 0.47
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 7.07
    sec-butyl acetate 0.18
    tert-butyl acetate 0.65
    decalin 0.11
    glycerin 370.19
    diglyme 12.5
    acrylic acid 26.69
    isopropyl myristate 0.21
    n-butyric acid 4.65
    acetyl acetate 0.79
    di(2-ethylhexyl) phthalate 0.72
    ethyl propionate 0.4
    nitromethane 30.22
    1,2-diethoxyethane 0.68
    benzonitrile 0.51
    trioctyl phosphate 0.63
    1-bromopropane 0.14
    gamma-valerolactone 18.8
    n-decanol 0.42
    triethyl phosphate 0.89
    4-methyl-2-pentanol 0.47
    propionitrile 0.49
    vinylene carbonate 3.67
    1,1,2-trichlorotrifluoroethane 43.08
    DMS 1.26
    cumene 0.16
    2-octanol 0.4
    2-hexanone 0.27
    octyl acetate 0.35
    limonene 0.56
    1,2-dimethoxyethane 5.75
    ethyl orthosilicate 0.76
    tributyl phosphate 0.58
    diacetone alcohol 5.69
    N,N-dimethylaniline 1.0
    acrylonitrile 1.48
    aniline 1.19
    1,3-propanediol 39.97
    bromobenzene 0.1
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 1.12
    2-methyl-cyclohexyl acetate 0.66
    tetrabutyl urea 1.37
    diisobutyl methanol 0.43
    2-phenylethanol 1.19
    styrene 0.13
    dioctyl adipate 0.61
    dimethyl sulfate 23.58
    ethyl butyrate 0.4
    methyl lactate 20.55
    butyl lactate 1.66
    diethyl carbonate 0.34
    propanediol butyl ether 7.67
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 2.55
    morpholine 6.43
    tert-butylamine 0.59
    n-dodecanol 0.34
    dimethoxymethane 12.66
    ethylene carbonate 2.26
    cyrene 21.43
    2-ethoxyethyl acetate 0.68
    2-ethylhexyl acetate 0.24
    1,2,4-trichlorobenzene 0.44
    4-methylpyridine 0.88
    dibutyl ether 0.22
    2,6-dimethyl-4-heptanol 0.43
    DEF 8.81
    dimethyl isosorbide 8.52
    tetrachloroethylene 1.35
    eugenol 3.27
    triacetin 1.78
    span 80 5.51
    1,4-butanediol 13.15
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.49
    methyl formate 25.38
    2-methyl-1-butanol 1.17
    n-decane 0.09
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.45
    1-chlorooctane 0.15
    1-chlorotetradecane 0.08
    n-nonane 0.09
    undecane 0.06
    tert-butylcyclohexane 0.06
    cyclooctane 0.3
    cyclopentanol 3.93
    tetrahydropyran 0.95
    tert-amyl methyl ether 0.68
    2,5,8-trioxanonane 12.06
    1-hexene 0.08
    2-isopropoxyethanol 3.63
    2,2,2-trifluoroethanol 61.83
    methyl butyrate 0.67

    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