Ascorbalamic acid

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  • Identifiers

    CAS number
    41679-87-2

    Molecular formula
    C9H13NO8

    SMILES
    C1C(NC(=O)C1(C2(C(C(CO2)O)O)O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.32%
    Sweet 43.46%
    Caramellic 24.62%
    Burnt 18.16%
    Bitter 16.56%
    Savory 15.78%
    Clean 15.17%
    Spicy 13.81%
    Milky 13.72%
    Cooling 13.64%

     

    Flavor
    Bitter 62.22%
    Odorless 50.12%
    Very mild 29.5%
    Sweet-like 27.6%
    Bland 25.45%
    Fenugreek 19.93%
    Sweet 19.65%
    Yeast 19.49%
    Alkaline 19.41%
    Cauliflower 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.8

    pKa est.
    4.57 (weak acid)

    Molecular weight
    263.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1224°C

    Flash point

    • 298.42 ˚C est.

  • Synonyms

    • Ascorbalamic acid
    • SCHEMBL30425548
    • CHEBI:187178
    • DTXSID801155886
    • 41679-87-2
    • 4-Hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)proline
    • L-Proline, 4-hydroxy-5-oxo-4-(tetrahydro-2,3,4-trihydroxy-2-furanyl)-
    • 4-hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
    • 41679-87-2

  • Applications

    Ascorbalamic acid (CAS 41679-87-2) is used as an antioxidant and stabilizer in cosmetics and personal care formulations; it can serve as an intermediate in pharmaceutical synthesis; it is applied as a stabilizer and processing aid in polymers and plastics to improve oxidation resistance and longevity; it is employed in coatings and inks as an antioxidant/stabilizer to enhance durability of the coating or printed layer; and it may be used in household cleaning formulations as a mild reducing agent or antioxidant, depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.09
    methanol 105.06
    isopropanol 7.27
    water 302.1
    ethyl acetate 1.94
    n-propanol 5.49
    acetone 7.23
    n-butanol 3.52
    acetonitrile 1.61
    DMF 376.71
    toluene 0.55
    isobutanol 2.03
    1,4-dioxane 11.51
    methyl acetate 1.74
    THF 14.07
    2-butanone 2.79
    n-pentanol 1.7
    sec-butanol 3.17
    n-hexane 0.18
    ethylene glycol 124.79
    NMP 136.22
    cyclohexane 0.5
    DMSO 580.95
    n-butyl acetate 1.01
    n-octanol 1.7
    chloroform 0.22
    n-propyl acetate 0.82
    acetic acid 24.64
    dichloromethane 0.5
    cyclohexanone 4.9
    propylene glycol 46.79
    isopropyl acetate 1.48
    DMAc 124.31
    2-ethoxyethanol 44.48
    isopentanol 2.31
    n-heptane 0.53
    ethyl formate 3.22
    1,2-dichloroethane 0.65
    n-hexanol 2.13
    2-methoxyethanol 160.92
    isobutyl acetate 0.22
    tetrachloromethane 0.22
    n-pentyl acetate 1.02
    transcutol 22.91
    n-heptanol 2.25
    ethylbenzene 0.3
    MIBK 2.09
    2-propoxyethanol 22.12
    tert-butanol 7.3
    MTBE 1.67
    2-butoxyethanol 10.97
    propionic acid 4.58
    o-xylene 0.81
    formic acid 449.35
    diethyl ether 2.82
    m-xylene 0.59
    p-xylene 0.32
    chlorobenzene 0.12
    dimethyl carbonate 9.85
    n-octane 0.28
    formamide 427.37
    cyclopentanone 9.06
    2-pentanone 3.34
    anisole 1.24
    cyclopentyl methyl ether 5.57
    gamma-butyrolactone 13.18
    1-methoxy-2-propanol 72.63
    pyridine 3.29
    3-pentanone 2.34
    furfural 16.73
    n-dodecane 0.12
    diethylene glycol 68.2
    diisopropyl ether 0.85
    tert-amyl alcohol 4.2
    acetylacetone 6.92
    n-hexadecane 0.14
    acetophenone 1.74
    methyl propionate 4.58
    isopentyl acetate 0.73
    trichloroethylene 0.74
    n-nonanol 1.63
    cyclohexanol 3.46
    benzyl alcohol 2.11
    2-ethylhexanol 1.02
    isooctanol 1.29
    dipropyl ether 2.37
    1,2-dichlorobenzene 0.19
    ethyl lactate 4.34
    propylene carbonate 4.02
    n-methylformamide 108.04
    2-pentanol 2.42
    n-pentane 0.32
    1-propoxy-2-propanol 10.5
    1-methoxy-2-propyl acetate 4.45
    2-(2-methoxypropoxy) propanol 8.37
    mesitylene 0.52
    ε-caprolactone 4.4
    p-cymene 0.46
    epichlorohydrin 5.94
    1,1,1-trichloroethane 0.15
    2-aminoethanol 75.05
    morpholine-4-carbaldehyde 102.06
    sulfolane 56.19
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 4.18
    n-hexyl acetate 1.17
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 12.5
    sec-butyl acetate 0.52
    tert-butyl acetate 2.15
    decalin 0.14
    glycerin 189.09
    diglyme 26.58
    acrylic acid 8.88
    isopropyl myristate 0.52
    n-butyric acid 3.96
    acetyl acetate 1.28
    di(2-ethylhexyl) phthalate 0.76
    ethyl propionate 1.29
    nitromethane 39.23
    1,2-diethoxyethane 2.78
    benzonitrile 0.57
    trioctyl phosphate 0.82
    1-bromopropane 0.25
    gamma-valerolactone 30.54
    n-decanol 1.18
    triethyl phosphate 1.18
    4-methyl-2-pentanol 1.33
    propionitrile 0.85
    vinylene carbonate 3.35
    1,1,2-trichlorotrifluoroethane 21.63
    DMS 1.54
    cumene 0.26
    2-octanol 1.24
    2-hexanone 0.98
    octyl acetate 0.78
    limonene 0.76
    1,2-dimethoxyethane 29.78
    ethyl orthosilicate 1.04
    tributyl phosphate 0.65
    diacetone alcohol 12.52
    N,N-dimethylaniline 2.11
    acrylonitrile 2.07
    aniline 1.68
    1,3-propanediol 48.57
    bromobenzene 0.09
    dibromomethane 0.24
    1,1,2,2-tetrachloroethane 0.91
    2-methyl-cyclohexyl acetate 0.79
    tetrabutyl urea 1.94
    diisobutyl methanol 0.91
    2-phenylethanol 1.8
    styrene 0.26
    dioctyl adipate 0.77
    dimethyl sulfate 32.69
    ethyl butyrate 1.16
    methyl lactate 24.5
    butyl lactate 2.57
    diethyl carbonate 0.73
    propanediol butyl ether 11.49
    triethyl orthoformate 1.48
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 3.47
    morpholine 20.41
    tert-butylamine 2.24
    n-dodecanol 0.83
    dimethoxymethane 79.72
    ethylene carbonate 2.38
    cyrene 16.7
    2-ethoxyethyl acetate 2.08
    2-ethylhexyl acetate 0.55
    1,2,4-trichlorobenzene 0.29
    4-methylpyridine 2.32
    dibutyl ether 0.92
    2,6-dimethyl-4-heptanol 0.91
    DEF 17.03
    dimethyl isosorbide 11.54
    tetrachloroethylene 1.11
    eugenol 4.65
    triacetin 2.09
    span 80 5.95
    1,4-butanediol 16.1
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 1.08
    methyl formate 52.26
    2-methyl-1-butanol 1.95
    n-decane 0.25
    butyronitrile 0.87
    3,7-dimethyl-1-octanol 0.91
    1-chlorooctane 0.37
    1-chlorotetradecane 0.16
    n-nonane 0.26
    undecane 0.17
    tert-butylcyclohexane 0.08
    cyclooctane 0.33
    cyclopentanol 4.51
    tetrahydropyran 3.17
    tert-amyl methyl ether 2.24
    2,5,8-trioxanonane 19.18
    1-hexene 0.29
    2-isopropoxyethanol 11.6
    2,2,2-trifluoroethanol 22.77
    methyl butyrate 1.81

    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