N-Gluconyl ethanolamine phosphate

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  • Identifiers

    CAS number
    791807-20-0

    Molecular formula
    C8H18NO10P

    SMILES
    C(COP(=O)(O)O)NC(=O)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.49%
    Sweet 35.76%
    Savory 26.5%
    Cooling 19.49%
    Alcoholic 19.22%
    Milky 17.04%
    Clean 16.4%
    Bitter 16.08%
    Buttery 15.01%
    Fishy 14.08%

     

    Flavor
    Odorless 75.55%
    Very mild 33.17%
    Sweet-like 29.84%
    Bland 29.42%
    Mild 27.31%
    Yeast 22.1%
    Sweet 20.26%
    Very slight 20.2%
    Faint 19.21%
    Caramellic 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.4

    pKa est.
    6.93 (neutral)

    Molecular weight
    319.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1848°C

    Flash point

    • 338.72 ˚C est.

    Solubility expt.

    • Very soluble in water; insoluble in pentane
    • Slightly soluble (in ethanol)

  • Synonyms

    • N-Gluconyl ethanolamine phosphate
    • FEMA no. 4255
    • Gluconyl ethanolamine phosphate
    • UNII-FBZ608HHCD
    • FBZ608HHCD
    • N-Gluconyl ethanolamine phosphate [FHFI]
    • D-Galactonamide, N-(2-(phosphonooxy)ethyl)-
    • 791807-20-0
    • 2-(((2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanoyl)amino)ethyl dihydrogen phosphate
    • DTXSID10229568
    • 2-[[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl dihydrogen phosphate
    • D-Galactonamide, N-[2-(phosphonooxy)ethyl]-
    • RefChem:163443
    • DTXCID60152059
    • SCHEMBL29655371
    • CHEBI:166475
    • NS00122590
    • D-Galactonamide, N-[2-(phosphonooxy)ethyl]- (9CI)
    • Q27277915
    • 2-[(2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanamido]ethyl dihydrogen phosphate
    • 791807-20-0

  • Applications

    Practical applications include: (1) a chelating agent for water treatment and industrial systems, (2) a building and stabilizing component in cleaning formulations and detergents as a metal-binding and anti-sedimentation additive, (3) a dispersant and stabilizer for coatings, paints, and inks in coatings/inks and polymer/plastic formulations, (4) a precursor or additive in the synthesis of specialty chemicals, and (5) a potential precursor or structuring additive in cosmetics and personal care products, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.54
    methanol 2.53
    isopropanol 0.32
    water 479.49
    ethyl acetate 0.12
    n-propanol 0.35
    acetone 0.64
    n-butanol 0.26
    acetonitrile 0.14
    DMF 21.87
    toluene 0.16
    isobutanol 0.17
    1,4-dioxane 0.91
    methyl acetate 0.14
    THF 0.94
    2-butanone 0.26
    n-pentanol 0.14
    sec-butanol 0.29
    n-hexane 0.06
    ethylene glycol 18.88
    NMP 21.84
    cyclohexane 0.32
    DMSO 80.65
    n-butyl acetate 0.1
    n-octanol 0.24
    chloroform 0.03
    n-propyl acetate 0.06
    acetic acid 2.3
    dichloromethane 0.06
    cyclohexanone 0.77
    propylene glycol 5.98
    isopropyl acetate 0.11
    DMAc 14.77
    2-ethoxyethanol 2.87
    isopentanol 0.18
    n-heptane 0.23
    ethyl formate 0.21
    1,2-dichloroethane 0.11
    n-hexanol 0.31
    2-methoxyethanol 10.84
    isobutyl acetate 0.02
    tetrachloromethane 0.06
    n-pentyl acetate 0.12
    transcutol 2.71
    n-heptanol 0.38
    ethylbenzene 0.07
    MIBK 0.2
    2-propoxyethanol 2.24
    tert-butanol 0.61
    MTBE 0.15
    2-butoxyethanol 1.28
    propionic acid 0.56
    o-xylene 0.31
    formic acid 49.39
    diethyl ether 0.23
    m-xylene 0.18
    p-xylene 0.07
    chlorobenzene 0.03
    dimethyl carbonate 0.75
    n-octane 0.1
    formamide 37.27
    cyclopentanone 1.02
    2-pentanone 0.3
    anisole 0.11
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 0.98
    1-methoxy-2-propanol 4.89
    pyridine 0.36
    3-pentanone 0.35
    furfural 1.84
    n-dodecane 0.04
    diethylene glycol 9.87
    diisopropyl ether 0.11
    tert-amyl alcohol 0.52
    acetylacetone 0.8
    n-hexadecane 0.05
    acetophenone 0.21
    methyl propionate 0.35
    isopentyl acetate 0.08
    trichloroethylene 0.09
    n-nonanol 0.25
    cyclohexanol 0.77
    benzyl alcohol 0.25
    2-ethylhexanol 0.19
    isooctanol 0.21
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.44
    propylene carbonate 0.28
    n-methylformamide 5.68
    2-pentanol 0.24
    n-pentane 0.09
    1-propoxy-2-propanol 1.3
    1-methoxy-2-propyl acetate 0.41
    2-(2-methoxypropoxy) propanol 1.18
    mesitylene 0.18
    ε-caprolactone 0.51
    p-cymene 0.12
    epichlorohydrin 0.35
    1,1,1-trichloroethane 0.03
    2-aminoethanol 7.42
    morpholine-4-carbaldehyde 10.55
    sulfolane 9.06
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 0.39
    n-hexyl acetate 0.14
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 1.75
    sec-butyl acetate 0.04
    tert-butyl acetate 0.21
    decalin 0.05
    glycerin 46.31
    diglyme 3.03
    acrylic acid 1.33
    isopropyl myristate 0.07
    n-butyric acid 0.34
    acetyl acetate 0.12
    di(2-ethylhexyl) phthalate 0.1
    ethyl propionate 0.1
    nitromethane 2.85
    1,2-diethoxyethane 0.27
    benzonitrile 0.07
    trioctyl phosphate 0.12
    1-bromopropane 0.05
    gamma-valerolactone 2.77
    n-decanol 0.2
    triethyl phosphate 0.17
    4-methyl-2-pentanol 0.14
    propionitrile 0.09
    vinylene carbonate 0.26
    1,1,2-trichlorotrifluoroethane 3.23
    DMS 0.18
    cumene 0.06
    2-octanol 0.21
    2-hexanone 0.1
    octyl acetate 0.11
    limonene 0.22
    1,2-dimethoxyethane 1.72
    ethyl orthosilicate 0.17
    tributyl phosphate 0.09
    diacetone alcohol 1.53
    N,N-dimethylaniline 0.29
    acrylonitrile 0.18
    aniline 0.35
    1,3-propanediol 4.42
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.15
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.34
    diisobutyl methanol 0.17
    2-phenylethanol 0.28
    styrene 0.05
    dioctyl adipate 0.09
    dimethyl sulfate 3.45
    ethyl butyrate 0.12
    methyl lactate 2.52
    butyl lactate 0.33
    diethyl carbonate 0.07
    propanediol butyl ether 1.55
    triethyl orthoformate 0.19
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 0.58
    morpholine 1.39
    tert-butylamine 0.24
    n-dodecanol 0.16
    dimethoxymethane 4.11
    ethylene carbonate 0.2
    cyrene 2.56
    2-ethoxyethyl acetate 0.2
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.24
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.17
    DEF 1.69
    dimethyl isosorbide 1.61
    tetrachloroethylene 0.2
    eugenol 0.7
    triacetin 0.24
    span 80 0.93
    1,4-butanediol 1.53
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.1
    methyl formate 2.89
    2-methyl-1-butanol 0.21
    n-decane 0.08
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.21
    cyclopentanol 0.79
    tetrahydropyran 0.36
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 2.97
    1-hexene 0.05
    2-isopropoxyethanol 0.88
    2,2,2-trifluoroethanol 3.99
    methyl butyrate 0.13

    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