Allantoin Polygalacturonic Acid

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  • Identifiers

    CAS number
    29659-38-9

    Molecular formula
    C10H16N4O10

    SMILES
    [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.75%
    Sweet 27.67%
    Caramellic 26.72%
    Burnt 18.27%
    Savory 17.39%
    Milky 17.12%
    Clean 17.09%
    Sharp 16.35%
    Bitter 15.42%
    Woody 13.66%

     

    Flavor
    Odorless 60.31%
    Sweet 49.51%
    Bitter 41.34%
    Sweet-like 28.96%
    Very mild 26.74%
    Very slight 21.77%
    Bland 21.67%
    Cauliflower 21.01%
    Fenugreek 20.7%
    Yeast 20.25%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.48 (weak acid)

    Molecular weight
    352.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    897°C

    Flash point

    • 216.81 ˚C est.

  • Synonyms

    • 29659-38-9
    • RefChem:110747
    • orb1698550
    • DTXSID80952119
    • AKOS040750330
    • N-(2,5-Dihydroxy-4H-imidazol-4-yl)carbamimidic acid--alpha-D-galactopyranuronic acid (1/1)
    • N-(2,5-Dihydroxy-4H-imidazol-4-yl)carbamimidic acid--hexopyranuronic acid (1/1)
    • 29659-38-9

  • Applications

    Allantoin Polygalacturonic Acid, CAS 29659-38-9, is a compound based on allantoin linked to polygalacturonic acid (a component of pectin). Thanks to the polygalacturonate moiety, it can function as a thickener and stabilizer for emulsions and gels in various formulations. In cosmetics and personal care, it is viewed as a skin-conditioning and soothing additive that also supports viscosity and structural stability of creams, lotions, and gels. In pharmaceutical topical formulations, it can serve as an excipient and a matrix for the controlled release of active ingredients. In industrial manufacturing, it can be used as a thickener, binder, or film-forming agent in water-based paints, inks, and polymer systems. In household cleaning products, it can improve viscosity and stabilize dispersed actives. Note that applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.61
    methanol 8.1
    isopropanol 0.87
    water 257.07
    ethyl acetate 0.39
    n-propanol 0.63
    acetone 0.85
    n-butanol 0.55
    acetonitrile 0.46
    DMF 75.89
    toluene 0.34
    isobutanol 0.37
    1,4-dioxane 3.63
    methyl acetate 0.28
    THF 1.6
    2-butanone 0.43
    n-pentanol 0.51
    sec-butanol 0.6
    n-hexane 0.16
    ethylene glycol 48.51
    NMP 58.2
    cyclohexane 0.68
    DMSO 423.15
    n-butyl acetate 0.35
    n-octanol 0.66
    chloroform 0.13
    n-propyl acetate 0.19
    acetic acid 1.32
    dichloromethane 0.31
    cyclohexanone 1.55
    propylene glycol 10.11
    isopropyl acetate 0.34
    DMAc 39.81
    2-ethoxyethanol 7.46
    isopentanol 0.46
    n-heptane 1.0
    ethyl formate 0.36
    1,2-dichloroethane 0.53
    n-hexanol 0.91
    2-methoxyethanol 20.17
    isobutyl acetate 0.07
    tetrachloromethane 0.16
    n-pentyl acetate 0.3
    transcutol 5.62
    n-heptanol 1.01
    ethylbenzene 0.24
    MIBK 0.44
    2-propoxyethanol 5.93
    tert-butanol 1.08
    MTBE 0.35
    2-butoxyethanol 3.39
    propionic acid 0.78
    o-xylene 0.83
    formic acid 48.68
    diethyl ether 0.56
    m-xylene 0.58
    p-xylene 0.25
    chlorobenzene 0.09
    dimethyl carbonate 2.05
    n-octane 0.32
    formamide 45.7
    cyclopentanone 1.43
    2-pentanone 0.56
    anisole 0.37
    cyclopentyl methyl ether 1.4
    gamma-butyrolactone 2.0
    1-methoxy-2-propanol 10.37
    pyridine 0.88
    3-pentanone 0.67
    furfural 3.5
    n-dodecane 0.15
    diethylene glycol 22.84
    diisopropyl ether 0.33
    tert-amyl alcohol 0.87
    acetylacetone 1.4
    n-hexadecane 0.17
    acetophenone 0.69
    methyl propionate 1.06
    isopentyl acetate 0.24
    trichloroethylene 0.38
    n-nonanol 0.66
    cyclohexanol 1.49
    benzyl alcohol 0.88
    2-ethylhexanol 0.62
    isooctanol 0.64
    dipropyl ether 1.22
    1,2-dichlorobenzene 0.16
    ethyl lactate 1.31
    propylene carbonate 0.66
    n-methylformamide 13.0
    2-pentanol 0.54
    n-pentane 0.24
    1-propoxy-2-propanol 3.48
    1-methoxy-2-propyl acetate 1.51
    2-(2-methoxypropoxy) propanol 3.05
    mesitylene 0.62
    ε-caprolactone 1.31
    p-cymene 0.51
    epichlorohydrin 1.2
    1,1,1-trichloroethane 0.1
    2-aminoethanol 15.04
    morpholine-4-carbaldehyde 37.17
    sulfolane 22.19
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 0.76
    n-hexyl acetate 0.33
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 4.38
    sec-butyl acetate 0.13
    tert-butyl acetate 0.49
    decalin 0.19
    glycerin 62.42
    diglyme 7.62
    acrylic acid 1.72
    isopropyl myristate 0.22
    n-butyric acid 0.6
    acetyl acetate 0.33
    di(2-ethylhexyl) phthalate 0.34
    ethyl propionate 0.34
    nitromethane 3.11
    1,2-diethoxyethane 0.86
    benzonitrile 0.29
    trioctyl phosphate 0.41
    1-bromopropane 0.19
    gamma-valerolactone 5.66
    n-decanol 0.57
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.39
    propionitrile 0.26
    vinylene carbonate 0.72
    1,1,2-trichlorotrifluoroethane 8.03
    DMS 0.59
    cumene 0.23
    2-octanol 0.52
    2-hexanone 0.26
    octyl acetate 0.31
    limonene 0.82
    1,2-dimethoxyethane 4.41
    ethyl orthosilicate 0.59
    tributyl phosphate 0.26
    diacetone alcohol 2.48
    N,N-dimethylaniline 1.1
    acrylonitrile 0.61
    aniline 0.66
    1,3-propanediol 7.46
    bromobenzene 0.09
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 0.68
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.97
    diisobutyl methanol 0.65
    2-phenylethanol 0.96
    styrene 0.17
    dioctyl adipate 0.33
    dimethyl sulfate 9.44
    ethyl butyrate 0.46
    methyl lactate 6.13
    butyl lactate 0.77
    diethyl carbonate 0.28
    propanediol butyl ether 3.71
    triethyl orthoformate 0.66
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 1.55
    morpholine 4.83
    tert-butylamine 0.57
    n-dodecanol 0.49
    dimethoxymethane 9.86
    ethylene carbonate 0.58
    cyrene 7.52
    2-ethoxyethyl acetate 0.52
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.21
    4-methylpyridine 0.65
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.65
    DEF 5.18
    dimethyl isosorbide 4.78
    tetrachloroethylene 0.79
    eugenol 1.95
    triacetin 0.7
    span 80 2.65
    1,4-butanediol 4.95
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.35
    methyl formate 4.31
    2-methyl-1-butanol 0.42
    n-decane 0.25
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.27
    1-chlorotetradecane 0.16
    n-nonane 0.26
    undecane 0.19
    tert-butylcyclohexane 0.09
    cyclooctane 0.59
    cyclopentanol 1.29
    tetrahydropyran 0.87
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 7.93
    1-hexene 0.15
    2-isopropoxyethanol 2.86
    2,2,2-trifluoroethanol 4.36
    methyl butyrate 0.37

    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