Nicotinic acid

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  • Identifiers

    CAS number
    59-67-6

    Molecular formula
    C6H5NO2

    SMILES
    C1=CC(=CN=C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.44%
    Nutty 43.86%
    Burnt 42.96%
    Phenolic 37.24%
    Roasted 32.79%
    Sour 31.63%
    Bitter 29.73%
    Balsamic 27.09%
    Aromatic 26.03%
    Musty 25.08%

     

    Flavor
    Nutty 48.23%
    Odorless 46.14%
    Faint 37.68%
    Sour 37.62%
    Balsam 36.24%
    Phenolic 35.24%
    Mild 30.14%
    Balsamic 28.47%
    Musty 26.2%
    Urine 25.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.2 (neutral)

    Molecular weight
    123.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 457 °F (NTP, 1992)
    • 236-239
    • 237 °C
    • Mol wt: 139.11. Needles; MP: 254-255 °C. Slightly soluble in cold water, more soluble in hot water, hot glacial acetic acid, hot methanol, less soluble in ethanol. Insoluble in light petroleum, benzene, chloroform. UV max (0.1N H2SO4): 220, 260 nm (epsilon 22400, 10200) /Nicotinic acid, 1-oxide/
    • 236.6 °C

    Boiling point

    • Sublimes (NTP, 1992)
    • 292.4 undefined
    • Sublimes

    Flash point

    • 139.85 ˚C est.
    • 193 °C (379 °F) - closed cup
    • 193 °C c.c.

    Solubility expt.

    • >18.5 [ug/mL] (The mean of the results at pH 7.4)
    • 10 to 50 mg/mL at 63 °F (NTP, 1992)
    • 18000 mg/L (at 25 °C)
    • In water, 1.8X10+4 mg/L at 20 °C
    • Slightly soluble in water
    • Slightly soluble in ethanol, ethyl ether
    • Soluble in alcohol, insoluble in most lipid solvents
    • 18.0 mg/mL
    • Solubility in water, g/100ml at 20 °C: 1.8 (moderate)

  • Synonyms

    • nicotinic acid
    • niacin
    • 59-67-6
    • Pyridine-3-carboxylic acid
    • 3-pyridinecarboxylic acid
    • 3-Carboxypyridine
    • wampocap
    • vitamin B3
    • Niaspan
    • Acidum nicotinicum
    • nicolar
    • Apelagrin
    • Pellagrin
    • Akotin
    • Daskil
    • Efacin
    • Pelonin
    • Linic
    • nicamin
    • nicobid
    • nicocap
    • Enduracin
    • Nicodelmine
    • Niconacid
    • Nicotinipca
    • Pellagramin
    • Direktan
    • Nicacid
    • Nicangin
    • Peviton
    • Bionic
    • Diacin
    • Nicyl
    • Nyclin
    • Niac
    • Vitaplex N
    • Davitamon PP
    • Nico-Span
    • Tega-Span
    • Nicocidin
    • Nicocrisina
    • Niconazid
    • Nicotamin
    • Nicotene
    • Nicovasan
    • Nicovasen
    • Nipellen
    • SK-Niacin
    • Naotin
    • Niacor
    • Nicodon
    • Niconat
    • Nicosan 3
    • Nicosyl
    • Nicotil
    • Tinic
    • 3-Carboxylpyridine
    • Nicotine acid
    • nicotinate
    • Nicoside
    • Slo-niacin
    • Acide nicotinique
    • NICO
    • 3-Picolinic acid
    • Nicotinsaure
    • Nico-400
    • Pyridine-beta-carboxylic acid
    • Nicagin
    • anti-Pellagra vitamin
    • Acido nicotinico
    • Caswell No. 598
    • PP Factor
    • Kyselina nikotinova
    • P.P. factor
    • Pellagra preventive factor
    • S115
    • Nicotinsaure [German]
    • 3-Pyridylcarboxylic acid
    • m-Pyridinecarboxylic acid
    • MFCD00006391
    • Kyselina nikotinova [Czech]
    • niacine
    • CCRIS 1902
    • Pyridine-carboxylique-3
    • EPA Pesticide Chemical Code 056701
    • Acide nicotinique [INN-French]
    • Acido nicotinico [INN-Spanish]
    • Acidum nicotinicum [INN-Latin]
    • HSDB 3134
    • Pyridine-carboxylique-3 [French]
    • AI3-18994
    • Pyridinecarboxylic acid, 3-
    • Niacin [USP]
    • SR 4390
    • BRN 0109591
    • Niacin extended release
    • Nicotinic acid [INN]
    • NAH
    • CHEMBL573
    • beta-pyridinecarboxylic acid
    • NSC-169454
    • MLS000069603
    • Pyridine-.beta.-carboxylic acid
    • DTXSID1020932
    • CHEBI:15940
    • Niacin (USP)
    • 2679MF687A
    • P.P. factor-pellagra preventive factor
    • CAS-59-67-6
    • pyridine, 3-carboxy-
    • NCGC00016268-02
    • SMR000059024
    • [5, 6-3H]-niacin
    • DTXCID10932
    • Niacin [USAN]
    • Nicotinicacid
    • NIO
    • Niacin (nicotinic acid)
    • SR-01000722017
    • EINECS 200-441-0
    • NIASPAN TITRATION STARTER PACK
    • NSC 169454
    • pellagra
    • Nikotinsaeure
    • Nicotinic Acid;
    • UNII-2679MF687A
    • preventative factor
    • antipellagra vitamin

  • Applications

    Nicotinic acid (CAS 59-67-6) is widely used as a vitamin (vitamin B3) in dietary supplements and for fortifying food products. It is also employed as an animal-feed additive to support nutrition. Industrially, it serves as a chemical building block and pharmaceutical intermediate, providing the starting material for the synthesis of nicotinamide and other NAD/NADP cofactors. It functions as a precursor for niacinamide derivatives and related esters in chemical manufacturing. It is used as a laboratory reagent in organic synthesis, enabling various transformations. Additionally, it may be used to prepare cosmetic-related nicotinamide derivatives through downstream processing. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.96
    methanol 14.39
    isopropanol 5.42
    water 16.59
    ethyl acetate 1.16
    n-propanol 5.92
    acetone 2.42
    n-butanol 4.31
    acetonitrile 0.54
    DMF 159.4
    toluene 1.27
    isobutanol 7.47
    1,4-dioxane 7.7
    methyl acetate 2.79
    THF 38.32
    2-butanone 4.4
    n-pentanol 8.79
    sec-butanol 5.92
    n-hexane 0.4
    ethylene glycol 23.27
    NMP 215.57
    cyclohexane 0.1
    DMSO 118.67
    n-butyl acetate 8.81
    n-octanol 7.57
    chloroform 3.34
    n-propyl acetate 6.19
    acetic acid 7.86
    dichloromethane 2.94
    cyclohexanone 14.14
    propylene glycol 13.8
    isopropyl acetate 3.19
    DMAc 171.63
    2-ethoxyethanol 29.42
    isopentanol 9.76
    n-heptane 0.62
    ethyl formate 4.29
    1,2-dichloroethane 2.88
    n-hexanol 13.86
    2-methoxyethanol 33.51
    isobutyl acetate 6.48
    tetrachloromethane 2.02
    n-pentyl acetate 8.03
    transcutol 39.43
    n-heptanol 13.32
    ethylbenzene 2.21
    MIBK 11.55
    2-propoxyethanol 42.57
    tert-butanol 15.77
    MTBE 5.23
    2-butoxyethanol 34.83
    propionic acid 10.59
    o-xylene 3.05
    formic acid 25.64
    diethyl ether 0.78
    m-xylene 3.68
    p-xylene 3.69
    chlorobenzene 2.1
    dimethyl carbonate 8.36
    n-octane 0.3
    formamide 25.58
    cyclopentanone 31.87
    2-pentanone 4.24
    anisole 8.17
    cyclopentyl methyl ether 11.06
    gamma-butyrolactone 47.87
    1-methoxy-2-propanol 31.36
    pyridine 5.98
    3-pentanone 2.87
    furfural 42.58
    n-dodecane 0.33
    diethylene glycol 52.28
    diisopropyl ether 1.53
    tert-amyl alcohol 17.96
    acetylacetone 8.04
    n-hexadecane 0.36
    acetophenone 15.94
    methyl propionate 4.39
    isopentyl acetate 11.86
    trichloroethylene 6.95
    n-nonanol 7.37
    cyclohexanol 5.47
    benzyl alcohol 12.08
    2-ethylhexanol 10.69
    isooctanol 13.21
    dipropyl ether 4.79
    1,2-dichlorobenzene 4.41
    ethyl lactate 15.6
    propylene carbonate 21.84
    n-methylformamide 34.16
    2-pentanol 4.25
    n-pentane 0.17
    1-propoxy-2-propanol 29.43
    1-methoxy-2-propyl acetate 18.41
    2-(2-methoxypropoxy) propanol 35.04
    mesitylene 3.8
    ε-caprolactone 16.31
    p-cymene 4.41
    epichlorohydrin 26.15
    1,1,1-trichloroethane 3.05
    2-aminoethanol 26.65
    morpholine-4-carbaldehyde 93.18
    sulfolane 125.15
    2,2,4-trimethylpentane 0.61
    2-methyltetrahydrofuran 13.25
    n-hexyl acetate 9.03
    isooctane 0.68
    2-(2-butoxyethoxy)ethanol 35.82
    sec-butyl acetate 5.56
    tert-butyl acetate 9.49
    decalin 0.53
    glycerin 43.23
    diglyme 57.46
    acrylic acid 13.83
    isopropyl myristate 5.32
    n-butyric acid 8.71
    acetyl acetate 1.98
    di(2-ethylhexyl) phthalate 10.55
    ethyl propionate 6.07
    nitromethane 11.6
    1,2-diethoxyethane 5.92
    benzonitrile 7.78
    trioctyl phosphate 8.97
    1-bromopropane 1.18
    gamma-valerolactone 48.73
    n-decanol 6.13
    triethyl phosphate 9.77
    4-methyl-2-pentanol 8.95
    propionitrile 2.03
    vinylene carbonate 16.69
    1,1,2-trichlorotrifluoroethane 47.6
    DMS 8.51
    cumene 3.85
    2-octanol 7.34
    2-hexanone 9.42
    octyl acetate 7.34
    limonene 4.76
    1,2-dimethoxyethane 35.8
    ethyl orthosilicate 8.45
    tributyl phosphate 8.26
    diacetone alcohol 30.62
    N,N-dimethylaniline 16.2
    acrylonitrile 4.42
    aniline 4.22
    1,3-propanediol 17.61
    bromobenzene 1.61
    dibromomethane 1.57
    1,1,2,2-tetrachloroethane 9.77
    2-methyl-cyclohexyl acetate 12.57
    tetrabutyl urea 15.42
    diisobutyl methanol 8.21
    2-phenylethanol 15.4
    styrene 1.74
    dioctyl adipate 9.17
    dimethyl sulfate 37.04
    ethyl butyrate 8.93
    methyl lactate 21.07
    butyl lactate 16.27
    diethyl carbonate 6.8
    propanediol butyl ether 28.22
    triethyl orthoformate 8.66
    p-tert-butyltoluene 4.61
    methyl 4-tert-butylbenzoate 25.97
    morpholine 13.93
    tert-butylamine 7.73
    n-dodecanol 4.74
    dimethoxymethane 24.8
    ethylene carbonate 11.31
    cyrene 47.55
    2-ethoxyethyl acetate 8.87
    2-ethylhexyl acetate 8.6
    1,2,4-trichlorobenzene 5.9
    4-methylpyridine 8.53
    dibutyl ether 2.94
    2,6-dimethyl-4-heptanol 8.21
    DEF 21.5
    dimethyl isosorbide 49.91
    tetrachloroethylene 7.37
    eugenol 32.95
    triacetin 11.05
    span 80 24.31
    1,4-butanediol 16.61
    1,1-dichloroethane 1.72
    2-methyl-1-pentanol 13.74
    methyl formate 19.28
    2-methyl-1-butanol 8.8
    n-decane 0.42
    butyronitrile 2.2
    3,7-dimethyl-1-octanol 8.75
    1-chlorooctane 2.15
    1-chlorotetradecane 1.17
    n-nonane 0.36
    undecane 0.36
    tert-butylcyclohexane 0.89
    cyclooctane 0.13
    cyclopentanol 13.06
    tetrahydropyran 3.15
    tert-amyl methyl ether 6.76
    2,5,8-trioxanonane 49.11
    1-hexene 1.37
    2-isopropoxyethanol 23.34
    2,2,2-trifluoroethanol 12.77
    methyl butyrate 11.18

    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