Picolinic acid

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  • Identifiers

    CAS number
    98-98-6

    Molecular formula
    C6H5NO2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 58.82%
    Nutty 42.03%
    Burnt 37.52%
    Roasted 34.69%
    Sour 30.12%
    Caramellic 25.76%
    Phenolic 24.65%
    Popcorn 24.61%
    Musty 23.97%
    Bitter 23.3%

     

    Flavor
    Nutty 50.77%
    Odorless 50.75%
    Sour 38.04%
    Mild 31.4%
    Popcorn 30.55%
    Faint 30.3%
    Musty 27.12%
    Bread 25.69%
    Phenolic 25.63%
    Urine 24.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.93 (neutral)

    Molecular weight
    123.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Melting point expt.

    • 136.5 °C

    Flash point

    • 133.65 ˚C est.

    Solubility expt.

    • 960 mg/mL at 20 °C
    • >18.5 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • picolinic acid
    • 98-98-6
    • Pyridine-2-carboxylic acid
    • 2-Pyridinecarboxylic acid
    • 2-Carboxypyridine
    • o-Pyridinecarboxylic acid
    • Acide picolique
    • alpha-Pyridinecarboxylic acid
    • 2-pyridine carboxylic acid
    • QZV2W997JQ
    • DTXSID7031903
    • DTXCID5011903
    • CHEBI:28747
    • RefChem:863115
    • 202-719-7
    • 2-Picolinic acid
    • alpha-Picolinic acid
    • PYRIDINECARBOXYLIC ACID
    • MFCD00006293
    • Pyridine-carboxylique-2
    • NSC 171
    • 32075-31-3
    • AI3-19242
    • Pyridinecarboxylic acid-(2)
    • CHEMBL72628
    • .alpha.-Pyridinecarboxylic acid
    • NSC 21209
    • PCL 016
    • pyridine, 2-carboxy-
    • NCGC00165993-01
    • Nicogamol
    • Nikogamol
    • 2-pyridinecarboxylate
    • 88161-53-9
    • Acide picolique [French]
    • CAS-98-98-6
    • PLA
    • SMR000814709
    • NSC21209
    • Pyridine-carboxylique-2 [French]
    • EINECS 202-719-7
    • UNII-QZV2W997JQ
    • BRN 0109595
    • picolinic-acid
    • picolic acid
    • CCRIS 8307
    • 2-picolic acid
    • TOS-BB-0927
    • A-Picolinic acid
    • 6PC
    • Isoniazid Impurity G
    • Isoniazid Impurity 9
    • pyridine carboxylic acid
    • pyridine-carboxylic acid
    • 2-pyridincarboxylic acid
    • pyridinium 2-carboxylate
    • a-Pyridinecarboxylic acid
    • 2-pyridine carboxic acid
    • Pyridine-A-carboxylic acid
    • 2-pyridine-carboxylic Acid
    • PICOLINIC ACID [MI]
    • Oprea1_485360
    • SCHEMBL35207
    • SCHEMBL36055
    • 5-22-02-00003 (Beilstein Handbook Reference)
    • MLS001335931
    • MLS001335932
    • Picolinic acid (PCL 016)
    • SCHEMBL126487
    • SCHEMBL129083
    • SCHEMBL133048
    • SCHEMBL596455
    • SCHEMBL869373
    • Phenyl-(2-pyridyl)acetonitrile
    • NSC171
    • orb1302514
    • SCHEMBL29368665
    • SIOXPEMLGUPBBT-UHFFFAOYSA-
    • HMS2232K05
    • CS-D1196
    • HY-I0660
    • JLA48761
    • STR00111
    • Tox21_112282
    • Tox21_202953
    • BDBM50000407
    • EBC-03181
    • s6249
    • SBB004277
    • STL164340
    • AKOS000119032
    • Tox21_112282_1
    • AB00685
    • AC-2105
    • FP02239
    • PS-4253
    • MSK163145-1000M
    • NCGC00165993-02
    • NCGC00260499-01
    • 2-Picolinic acid, ReagentPlus(R), 99%
    • BP-13036
    • BP-21456
    • NCI60_001382
    • SY001169
    • DB-014967
    • NS00014903
    • P0421
    • ST50213873
    • EN300-18459
    • Picolinic Acid(Discontinued,See C4X-14099)
    • A15945
    • SBI-0635136.0002
    • 2-Picolinic acid, Vetec(TM) reagent grade, 98%
    • F043385
    • Q416682
    • C9DF3EBC-98F0-4165-BE9A-92F8EE33CDBA
    • BRD-K60612034-001-07-9
    • BRD-K60612034-001-08-7
    • Z57968195
    • F2191-0113
    • 2-Pyridinecarboxylic acid Solution in Methanol, 1000ug/mL
    • InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
    • 98-98-6

  • Applications

    Picolinic acid (CAS number: 98-98-6) is primarily used as a chelating and coordinating ligand for metal ions, enabling selective complexation in metal processing, purification, and wastewater treatment. It also serves as a versatile building block and ligand in coordination chemistry and related catalysis, including metal–organic frameworks and homogeneous catalysts. In analytical chemistry, it functions as an analytical reagent for metal ion detection and complexometric titrations. Additionally, it is employed as an intermediate in organic synthesis for pharmaceutical and agrochemical applications, acting as a precursor to more elaborated ligands and heterocyclic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.51
    methanol 83.37
    isopropanol 38.32
    water 16.52
    ethyl acetate 23.24
    n-propanol 41.37
    acetone 36.63
    n-butanol 29.47
    acetonitrile 10.02
    DMF 593.49
    toluene 7.64
    isobutanol 30.19
    1,4-dioxane 107.46
    methyl acetate 33.41
    THF 123.5
    2-butanone 39.55
    n-pentanol 36.37
    sec-butanol 33.3
    n-hexane 1.51
    ethylene glycol 75.19
    NMP 504.6
    cyclohexane 0.6
    DMSO 625.13
    n-butyl acetate 29.91
    n-octanol 27.84
    chloroform 15.61
    n-propyl acetate 27.33
    acetic acid 41.44
    dichloromethane 22.02
    cyclohexanone 66.29
    propylene glycol 37.34
    isopropyl acetate 19.4
    DMAc 441.8
    2-ethoxyethanol 106.15
    isopentanol 31.74
    n-heptane 2.15
    ethyl formate 30.38
    1,2-dichloroethane 31.2
    n-hexanol 42.76
    2-methoxyethanol 154.16
    isobutyl acetate 13.65
    tetrachloromethane 4.02
    n-pentyl acetate 27.77
    transcutol 187.33
    n-heptanol 32.79
    ethylbenzene 8.66
    MIBK 32.61
    2-propoxyethanol 97.67
    tert-butanol 53.13
    MTBE 26.83
    2-butoxyethanol 72.4
    propionic acid 45.95
    o-xylene 13.99
    formic acid 86.89
    diethyl ether 12.23
    m-xylene 14.24
    p-xylene 11.37
    chlorobenzene 14.22
    dimethyl carbonate 31.72
    n-octane 1.35
    formamide 114.92
    cyclopentanone 102.27
    2-pentanone 36.32
    anisole 27.23
    cyclopentyl methyl ether 47.27
    gamma-butyrolactone 166.55
    1-methoxy-2-propanol 110.79
    pyridine 47.76
    3-pentanone 25.27
    furfural 146.59
    n-dodecane 1.49
    diethylene glycol 126.49
    diisopropyl ether 7.02
    tert-amyl alcohol 51.16
    acetylacetone 47.96
    n-hexadecane 1.64
    acetophenone 40.2
    methyl propionate 43.23
    isopentyl acetate 26.94
    trichloroethylene 47.07
    n-nonanol 25.8
    cyclohexanol 25.46
    benzyl alcohol 35.16
    2-ethylhexanol 24.28
    isooctanol 25.86
    dipropyl ether 16.65
    1,2-dichlorobenzene 18.34
    ethyl lactate 34.65
    propylene carbonate 61.08
    n-methylformamide 184.77
    2-pentanol 24.46
    n-pentane 1.05
    1-propoxy-2-propanol 65.34
    1-methoxy-2-propyl acetate 45.58
    2-(2-methoxypropoxy) propanol 65.8
    mesitylene 10.68
    ε-caprolactone 71.56
    p-cymene 10.1
    epichlorohydrin 144.09
    1,1,1-trichloroethane 12.16
    2-aminoethanol 81.89
    morpholine-4-carbaldehyde 302.25
    sulfolane 361.49
    2,2,4-trimethylpentane 1.67
    2-methyltetrahydrofuran 61.75
    n-hexyl acetate 34.6
    isooctane 1.71
    2-(2-butoxyethoxy)ethanol 96.04
    sec-butyl acetate 16.0
    tert-butyl acetate 26.31
    decalin 1.65
    glycerin 98.5
    diglyme 151.37
    acrylic acid 50.78
    isopropyl myristate 15.58
    n-butyric acid 41.64
    acetyl acetate 13.01
    di(2-ethylhexyl) phthalate 19.34
    ethyl propionate 25.77
    nitromethane 100.28
    1,2-diethoxyethane 38.52
    benzonitrile 32.68
    trioctyl phosphate 18.94
    1-bromopropane 11.14
    gamma-valerolactone 181.71
    n-decanol 20.88
    triethyl phosphate 18.63
    4-methyl-2-pentanol 21.01
    propionitrile 17.21
    vinylene carbonate 48.77
    1,1,2-trichlorotrifluoroethane 108.16
    DMS 31.1
    cumene 9.1
    2-octanol 22.57
    2-hexanone 32.28
    octyl acetate 22.59
    limonene 12.26
    1,2-dimethoxyethane 135.82
    ethyl orthosilicate 16.39
    tributyl phosphate 18.66
    diacetone alcohol 65.13
    N,N-dimethylaniline 31.82
    acrylonitrile 38.5
    aniline 22.12
    1,3-propanediol 70.29
    bromobenzene 10.62
    dibromomethane 12.21
    1,1,2,2-tetrachloroethane 48.78
    2-methyl-cyclohexyl acetate 21.49
    tetrabutyl urea 30.63
    diisobutyl methanol 16.52
    2-phenylethanol 39.65
    styrene 8.22
    dioctyl adipate 22.11
    dimethyl sulfate 99.54
    ethyl butyrate 22.76
    methyl lactate 60.18
    butyl lactate 36.2
    diethyl carbonate 15.9
    propanediol butyl ether 67.34
    triethyl orthoformate 18.62
    p-tert-butyltoluene 10.2
    methyl 4-tert-butylbenzoate 47.03
    morpholine 132.97
    tert-butylamine 24.01
    n-dodecanol 16.24
    dimethoxymethane 126.23
    ethylene carbonate 37.46
    cyrene 72.3
    2-ethoxyethyl acetate 39.63
    2-ethylhexyl acetate 19.73
    1,2,4-trichlorobenzene 23.25
    4-methylpyridine 54.54
    dibutyl ether 14.62
    2,6-dimethyl-4-heptanol 16.52
    DEF 110.24
    dimethyl isosorbide 89.42
    tetrachloroethylene 32.34
    eugenol 58.98
    triacetin 32.39
    span 80 50.52
    1,4-butanediol 53.13
    1,1-dichloroethane 14.97
    2-methyl-1-pentanol 32.07
    methyl formate 108.22
    2-methyl-1-butanol 30.54
    n-decane 1.98
    butyronitrile 18.25
    3,7-dimethyl-1-octanol 23.95
    1-chlorooctane 9.82
    1-chlorotetradecane 4.85
    n-nonane 1.73
    undecane 1.72
    tert-butylcyclohexane 2.01
    cyclooctane 0.55
    cyclopentanol 43.25
    tetrahydropyran 31.32
    tert-amyl methyl ether 26.73
    2,5,8-trioxanonane 112.75
    1-hexene 6.18
    2-isopropoxyethanol 65.97
    2,2,2-trifluoroethanol 37.12
    methyl butyrate 38.97

    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