Niacinamide ascorbate

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  • Identifiers

    CAS number
    1987-71-9

    Molecular formula
    C12H14N2O7

    SMILES
    C1=CC(=CN=C1)C(=O)N.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.0%
    Roasted 41.24%
    Nutty 38.87%
    Burnt 35.1%
    Popcorn 32.37%
    Meaty 26.49%
    Cooked 25.97%
    Savory 25.7%
    Caramellic 24.52%
    Bitter 24.07%

     

    Flavor
    Nutty 44.15%
    Bitter 44.07%
    Odorless 41.21%
    Popcorn 31.41%
    Mild 27.24%
    Bread crust 24.48%
    Musty 23.8%
    Faint 23.32%
    Sour 23.29%
    Roasted peanuts 23.11%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.0 (weak acid)

    Molecular weight
    298.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 139.68 ˚C est.

  • Synonyms

    • NIACINAMIDE ASCORBATE
    • Nicotinamide ascorbate
    • Nicoscorbine
    • Nicastubine
    • Merpress
    • UNII-JTL8B7TVW7
    • JTL8B7TVW7
    • Vitamin C-nicotinamide mixt.
    • Nicotinamide ascorbate (VAN)
    • NSC 13130
    • L-Ascorbic acid, mixt. with nicotinamide
    • NIACINAMIDE L-ASCORBATE
    • DTXSID90872475
    • NIACINAMIDE ASCORBATE [FCC]
    • L-Ascorbic acid, mixt. with 3-pyridinecarboxamide
    • NSC-13130
    • NICOTINAMIDE ASCORBATE [MART.]
    • NICOTINAMIDE ASCORBATE [WHO-DD]
    • NICOTINAMIDE COMPD WITH ASCORBIC ACID
    • NICOTINAMIDE COMPD WITH ASCORBIC ACID [MI]
    • NICOTINAMIDE ASCORBATE (MART.)
    • RefChem:165634
    • DTXCID30820132
    • (5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one; pyridine-3-carboxamide
    • NIACINAMIDE ASCORBATE [INCI]
    • L-Ascorbic acid, compd. with nicotinamide (8CI)
    • L-Ascorbic acid, compd. with 3-pyridinecarboxamide (9CI)
    • 1987-71-9
    • (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;pyridine-3-carboxamide
    • nicotinamide compound with (R)-5-((S)-1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (1:1)
    • niacinamide ascorbate?
    • ascorbic acid nicotinamide
    • SCHEMBL580041
    • orb1695911
    • HY-B0166D
    • JMORAWFVNMGOKQ-MGMRMFRLSA-N
    • EBC-77127
    • AKOS040753263
    • DB14486
    • CS-0086141
    • Q27281693
    • Pyridine-3-carboxamide--(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (1/1)
    • 1987-71-9

  • Applications

    Niacinamide ascorbate, CAS 1987-71-9, is a conjugate of niacinamide and ascorbate. In practical applications, it is regarded as a stabilizing and antioxidant additive for cosmetic and personal care formulations, while also serving as a source of vitamin B3 and vitamin C in topical products such as creams, serums, or specialty formulations. In pharmaceutical contexts, it can be used as an excipient or a vitamin-containing component in formulation development. In industrial materials, the compound is evaluated as a stabilizer in polymer and coating systems to extend shelf life and improve surface properties, and may see use in inks and coatings formulations. Overall, applications emphasize stabilization and vitamin provisioning, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.33
    methanol 234.5
    isopropanol 52.32
    water 67.47
    ethyl acetate 14.2
    n-propanol 59.67
    acetone 30.8
    n-butanol 44.11
    acetonitrile 14.67
    DMF 416.52
    toluene 4.33
    isobutanol 41.04
    1,4-dioxane 32.47
    methyl acetate 20.35
    THF 95.01
    2-butanone 33.45
    n-pentanol 29.17
    sec-butanol 30.65
    n-hexane 0.53
    ethylene glycol 64.64
    NMP 236.66
    cyclohexane 0.19
    DMSO 216.17
    n-butyl acetate 11.89
    n-octanol 7.88
    chloroform 16.28
    n-propyl acetate 12.47
    acetic acid 51.04
    dichloromethane 13.07
    cyclohexanone 42.45
    propylene glycol 50.56
    isopropyl acetate 10.07
    DMAc 331.31
    2-ethoxyethanol 63.33
    isopentanol 25.94
    n-heptane 0.68
    ethyl formate 26.57
    1,2-dichloroethane 9.23
    n-hexanol 19.79
    2-methoxyethanol 134.5
    isobutyl acetate 8.82
    tetrachloromethane 4.99
    n-pentyl acetate 10.4
    transcutol 43.67
    n-heptanol 13.46
    ethylbenzene 3.17
    MIBK 16.91
    2-propoxyethanol 55.83
    tert-butanol 31.82
    MTBE 11.5
    2-butoxyethanol 34.87
    propionic acid 49.07
    o-xylene 5.27
    formic acid 129.85
    diethyl ether 6.58
    m-xylene 6.28
    p-xylene 5.23
    chlorobenzene 7.97
    dimethyl carbonate 20.81
    n-octane 0.32
    formamide 123.32
    cyclopentanone 91.53
    2-pentanone 24.37
    anisole 13.67
    cyclopentyl methyl ether 26.93
    gamma-butyrolactone 106.99
    1-methoxy-2-propanol 83.07
    pyridine 31.73
    3-pentanone 15.65
    furfural 87.99
    n-dodecane 0.31
    diethylene glycol 69.03
    diisopropyl ether 2.51
    tert-amyl alcohol 25.29
    acetylacetone 21.46
    n-hexadecane 0.34
    acetophenone 20.22
    methyl propionate 28.03
    isopentyl acetate 10.96
    trichloroethylene 24.06
    n-nonanol 7.19
    cyclohexanol 16.17
    benzyl alcohol 22.24
    2-ethylhexanol 9.37
    isooctanol 10.25
    dipropyl ether 7.07
    1,2-dichlorobenzene 8.5
    ethyl lactate 18.7
    propylene carbonate 41.22
    n-methylformamide 178.54
    2-pentanol 17.35
    n-pentane 0.4
    1-propoxy-2-propanol 31.93
    1-methoxy-2-propyl acetate 20.7
    2-(2-methoxypropoxy) propanol 24.93
    mesitylene 3.85
    ε-caprolactone 36.74
    p-cymene 3.82
    epichlorohydrin 64.3
    1,1,1-trichloroethane 9.54
    2-aminoethanol 96.67
    morpholine-4-carbaldehyde 140.96
    sulfolane 137.05
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 40.15
    n-hexyl acetate 11.14
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 29.29
    sec-butyl acetate 7.82
    tert-butyl acetate 10.67
    decalin 0.48
    glycerin 95.75
    diglyme 51.49
    acrylic acid 50.25
    isopropyl myristate 4.52
    n-butyric acid 43.49
    acetyl acetate 8.51
    di(2-ethylhexyl) phthalate 8.88
    ethyl propionate 12.57
    nitromethane 73.4
    1,2-diethoxyethane 8.78
    benzonitrile 17.95
    trioctyl phosphate 6.97
    1-bromopropane 5.04
    gamma-valerolactone 104.67
    n-decanol 5.4
    triethyl phosphate 8.55
    4-methyl-2-pentanol 10.13
    propionitrile 21.25
    vinylene carbonate 36.56
    1,1,2-trichlorotrifluoroethane 72.02
    DMS 11.92
    cumene 3.39
    2-octanol 6.96
    2-hexanone 16.87
    octyl acetate 6.95
    limonene 4.64
    1,2-dimethoxyethane 64.67
    ethyl orthosilicate 7.82
    tributyl phosphate 7.2
    diacetone alcohol 28.56
    N,N-dimethylaniline 13.9
    acrylonitrile 35.4
    aniline 19.11
    1,3-propanediol 83.4
    bromobenzene 5.37
    dibromomethane 6.97
    1,1,2,2-tetrachloroethane 22.37
    2-methyl-cyclohexyl acetate 10.02
    tetrabutyl urea 11.92
    diisobutyl methanol 5.78
    2-phenylethanol 18.12
    styrene 3.58
    dioctyl adipate 7.52
    dimethyl sulfate 56.89
    ethyl butyrate 10.48
    methyl lactate 41.42
    butyl lactate 15.26
    diethyl carbonate 7.7
    propanediol butyl ether 27.51
    triethyl orthoformate 8.85
    p-tert-butyltoluene 3.68
    methyl 4-tert-butylbenzoate 20.71
    morpholine 60.73
    tert-butylamine 11.77
    n-dodecanol 4.0
    dimethoxymethane 78.06
    ethylene carbonate 27.13
    cyrene 38.76
    2-ethoxyethyl acetate 12.98
    2-ethylhexyl acetate 8.56
    1,2,4-trichlorobenzene 11.7
    4-methylpyridine 39.04
    dibutyl ether 3.82
    2,6-dimethyl-4-heptanol 5.78
    DEF 56.2
    dimethyl isosorbide 34.14
    tetrachloroethylene 16.15
    eugenol 24.32
    triacetin 13.19
    span 80 18.55
    1,4-butanediol 40.14
    1,1-dichloroethane 10.33
    2-methyl-1-pentanol 18.6
    methyl formate 78.98
    2-methyl-1-butanol 28.97
    n-decane 0.46
    butyronitrile 20.72
    3,7-dimethyl-1-octanol 7.33
    1-chlorooctane 2.33
    1-chlorotetradecane 1.03
    n-nonane 0.4
    undecane 0.37
    tert-butylcyclohexane 0.71
    cyclooctane 0.14
    cyclopentanol 37.35
    tetrahydropyran 16.89
    tert-amyl methyl ether 10.79
    2,5,8-trioxanonane 37.57
    1-hexene 2.8
    2-isopropoxyethanol 33.87
    2,2,2-trifluoroethanol 42.73
    methyl butyrate 19.9

    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