Quinolinic Acid

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  • Identifiers

    CAS number
    89-00-9

    Molecular formula
    C7H5NO4

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 69.79%
    Sour 36.03%
    Nutty 32.17%
    Burnt 31.18%
    Roasted 25.91%
    Phenolic 22.88%
    Bitter 21.54%
    Cooked 21.19%
    Aromatic 20.16%
    Caramellic 19.97%

     

    Flavor
    Odorless 61.32%
    Nutty 50.6%
    Mild 36.28%
    Sour 35.6%
    Very mild 33.17%
    Phenolic 30.41%
    Faint 29.06%
    Musty 27.03%
    Urine 23.14%
    Caramellic 23.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.79 (weak acid)

    Molecular weight
    167.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Melting point expt.

    • 228.5 °C
    • 190 °C

    Flash point

    • 201.96 ˚C est.

    Solubility expt.

    • 11000 mg/L (at 25 °C)
    • Soluble in 180 parts water, in alkalies, slightly in alcohol. Almost insol in ether or benzene.
    • Slightly soluble in trifluoroacetic acid. Insoluble in ethanol.
    • In water, 1.1X10+4 mg/L at 25 °C
    • 11.0 mg/mL

  • Synonyms

    • quinolinic acid
    • Pyridine-2,3-dicarboxylic acid
    • 2,3-pyridinedicarboxylic acid
    • 89-00-9
    • quinolinate
    • 339155-13-4
    • AI3-63017
    • pyridinedicarboxylic acid
    • F6F0HK1URN
    • Pyridine-2,3-dicarboxylate
    • EINECS 201-874-8
    • MFCD00006295
    • NSC 13127
    • 2,3-pyridine dicarboxylic acid
    • DTXSID8041327
    • CHEBI:16675
    • HSDB 7511
    • pyridine-2,3-carboxylate
    • NSC-13127
    • QUINOLINIC ACID [MI]
    • CHEMBL286204
    • 28605-84-7
    • DTXCID6021327
    • EC 201-874-8
    • NSC 13127(ChemID)
    • NSC 13127[ChemID]
    • 2,3-pyridinedicarboxylate
    • 2,3-Pyridinedicarboxylicacid, labeled with tritium (9CI)
    • Pyridine-2,3-dicarboxylic acid(ChemID)
    • Pyridine-2,3-dicarboxylic acid[ChemID]
    • SMR000112287
    • SR-01000075472
    • UNII-F6F0HK1URN
    • quinolinic-acid
    • Spectrum_001525
    • Tocris-0225
    • pyridine carboxylate, 6c
    • Spectrum2_000929
    • Spectrum3_001502
    • Spectrum4_000336
    • Spectrum5_001170
    • Lopac-P63204
    • bmse000219
    • pyridine, 2,3-dicarboxy-
    • Quinolinic acid (Standard)
    • Pyridin-2,3-dicarbonsaeure
    • 2,3Pyridinedicarboxylic acid
    • Lopac0_000989
    • Oprea1_139764
    • Pyridine2,3dicarboxylic acid
    • SCHEMBL69230
    • BSPBio_003143
    • KBioGR_000711
    • KBioSS_002005
    • MLS001332417
    • MLS001332418
    • MLS002153210
    • DivK1c_000773
    • Pyridine-2,3-dicarboxylicacid
    • SPECTRUM1502102
    • SPBio_000838
    • pyridine-5,6-dicarboxylic acid
    • BDBM26115
    • HMS502G15
    • KBio1_000773
    • KBio2_002005
    • KBio2_004573
    • KBio2_007141
    • KBio3_002643
    • NINDS_000773
    • HMS1921J12
    • HMS2267B04
    • HMS3263E19
    • HMS3266C15
    • HMS3411C05
    • HMS3675C05
    • HMS3885A17
    • NSC13127
    • NSC18836
    • Tox21_302051
    • Tox21_500989
    • BBL007601
    • CCG-39677
    • HB0544
    • NSC-18836
    • NSC403247
    • PDSP1_000133
    • PDSP2_000132
    • s3624
    • STK365157
    • 2,3-Pyridinedicarboxylic acid, 99%
    • AKOS000119760
    • CS-W020665
    • DB01796
    • FG-0461
    • FP27303
    • HY-100807R
    • LP00989
    • NSC-403247
    • PB47350
    • SDCCGMLS-0411909.P028
    • SDCCGSBI-0050962.P003
    • CAS-89-00-9
    • IDI1_000773
    • MLS-0411909
    • NCGC00015865-01
    • NCGC00015865-02
    • NCGC00015865-03
    • NCGC00015865-04
    • NCGC00015865-05
    • NCGC00015865-06
    • NCGC00015865-07
    • NCGC00015865-08
    • NCGC00015865-12
    • NCGC00024506-01
    • NCGC00024506-02
    • NCGC00024506-03
    • NCGC00024506-04
    • NCGC00024506-05
    • NCGC00024506-06
    • NCGC00255468-01
    • NCGC00261674-01
    • AC-11734
    • SY003044
    • 2,3-Pyridinedicarboxylic acid (8CI,9CI)
    • MLS-0411909.P016
    • DB-016184
    • HY-100807

  • Applications

    Quinolinic Acid (CAS 89-00-9) is commonly used as a building block in the synthesis of quinoline-based compounds, including dyes and pigments, as well as nicotinate derivatives relevant to pharmaceutical and agrochemical research. It serves as an intermediate in studies of NAD+ biosynthesis and tryptophan metabolism, often used as a biochemical reference or starting material in related research. The molecule's carboxylate groups and nitrogen atom enable it to act as a multidentate ligand in coordination chemistry, supporting metal complex formation for catalysis and materials research. In polymer and materials science, it can function as a rigid heterocyclic building block for specialty polymers and advanced materials. It may also be encountered as a reagent or standard in analytical methods and laboratory-scale synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.11
    methanol 25.98
    isopropanol 12.02
    water 5.78
    ethyl acetate 3.56
    n-propanol 12.53
    acetone 18.69
    n-butanol 12.28
    acetonitrile 6.51
    DMF 369.8
    toluene 1.39
    isobutanol 8.86
    1,4-dioxane 17.94
    methyl acetate 8.68
    THF 108.03
    2-butanone 15.98
    n-pentanol 11.38
    sec-butanol 11.02
    n-hexane 0.5
    ethylene glycol 38.9
    NMP 107.84
    cyclohexane 0.15
    DMSO 790.27
    n-butyl acetate 6.71
    n-octanol 10.14
    chloroform 3.06
    n-propyl acetate 4.36
    acetic acid 3.3
    dichloromethane 6.93
    cyclohexanone 13.1
    propylene glycol 10.52
    isopropyl acetate 3.28
    DMAc 233.37
    2-ethoxyethanol 46.14
    isopentanol 12.87
    n-heptane 0.8
    ethyl formate 6.59
    1,2-dichloroethane 12.68
    n-hexanol 15.12
    2-methoxyethanol 81.32
    isobutyl acetate 1.24
    tetrachloromethane 1.72
    n-pentyl acetate 6.4
    transcutol 15.36
    n-heptanol 14.05
    ethylbenzene 2.07
    MIBK 8.77
    2-propoxyethanol 43.78
    tert-butanol 25.7
    MTBE 7.93
    2-butoxyethanol 27.19
    propionic acid 3.37
    o-xylene 2.65
    formic acid 19.45
    diethyl ether 4.43
    m-xylene 2.3
    p-xylene 2.35
    chlorobenzene 1.3
    dimethyl carbonate 11.26
    n-octane 0.51
    formamide 39.22
    cyclopentanone 39.78
    2-pentanone 11.74
    anisole 7.32
    cyclopentyl methyl ether 14.26
    gamma-butyrolactone 30.87
    1-methoxy-2-propanol 48.45
    pyridine 10.17
    3-pentanone 9.06
    furfural 25.19
    n-dodecane 0.53
    diethylene glycol 54.62
    diisopropyl ether 1.72
    tert-amyl alcohol 20.21
    acetylacetone 12.88
    n-hexadecane 0.58
    acetophenone 8.99
    methyl propionate 10.63
    isopentyl acetate 5.18
    trichloroethylene 10.03
    n-nonanol 9.9
    cyclohexanol 5.64
    benzyl alcohol 8.03
    2-ethylhexanol 7.36
    isooctanol 9.68
    dipropyl ether 7.33
    1,2-dichlorobenzene 2.48
    ethyl lactate 6.31
    propylene carbonate 6.34
    n-methylformamide 71.63
    2-pentanol 7.79
    n-pentane 0.34
    1-propoxy-2-propanol 22.9
    1-methoxy-2-propyl acetate 9.88
    2-(2-methoxypropoxy) propanol 16.13
    mesitylene 2.07
    ε-caprolactone 9.13
    p-cymene 2.9
    epichlorohydrin 54.09
    1,1,1-trichloroethane 2.92
    2-aminoethanol 31.15
    morpholine-4-carbaldehyde 69.4
    sulfolane 92.22
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 21.24
    n-hexyl acetate 7.22
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 20.79
    sec-butyl acetate 2.24
    tert-butyl acetate 6.55
    decalin 0.37
    glycerin 29.42
    diglyme 35.85
    acrylic acid 3.76
    isopropyl myristate 4.04
    n-butyric acid 4.33
    acetyl acetate 1.69
    di(2-ethylhexyl) phthalate 4.47
    ethyl propionate 5.73
    nitromethane 21.64
    1,2-diethoxyethane 6.13
    benzonitrile 5.53
    trioctyl phosphate 5.8
    1-bromopropane 4.83
    gamma-valerolactone 33.79
    n-decanol 7.97
    triethyl phosphate 5.63
    4-methyl-2-pentanol 5.74
    propionitrile 8.13
    vinylene carbonate 4.92
    1,1,2-trichlorotrifluoroethane 32.17
    DMS 4.74
    cumene 2.09
    2-octanol 8.24
    2-hexanone 9.06
    octyl acetate 6.4
    limonene 3.19
    1,2-dimethoxyethane 60.44
    ethyl orthosilicate 5.1
    tributyl phosphate 4.0
    diacetone alcohol 21.06
    N,N-dimethylaniline 10.46
    acrylonitrile 14.45
    aniline 3.86
    1,3-propanediol 29.18
    bromobenzene 1.23
    dibromomethane 4.23
    1,1,2,2-tetrachloroethane 12.94
    2-methyl-cyclohexyl acetate 4.64
    tetrabutyl urea 9.2
    diisobutyl methanol 4.83
    2-phenylethanol 10.38
    styrene 1.62
    dioctyl adipate 4.95
    dimethyl sulfate 43.64
    ethyl butyrate 5.33
    methyl lactate 14.61
    butyl lactate 6.48
    diethyl carbonate 3.62
    propanediol butyl ether 13.66
    triethyl orthoformate 4.65
    p-tert-butyltoluene 2.88
    methyl 4-tert-butylbenzoate 13.59
    morpholine 28.77
    tert-butylamine 9.4
    n-dodecanol 5.87
    dimethoxymethane 93.0
    ethylene carbonate 4.19
    cyrene 17.67
    2-ethoxyethyl acetate 6.43
    2-ethylhexyl acetate 4.1
    1,2,4-trichlorobenzene 3.06
    4-methylpyridine 10.03
    dibutyl ether 4.27
    2,6-dimethyl-4-heptanol 4.83
    DEF 36.67
    dimethyl isosorbide 24.94
    tetrachloroethylene 8.72
    eugenol 15.54
    triacetin 4.4
    span 80 10.19
    1,4-butanediol 17.67
    1,1-dichloroethane 3.31
    2-methyl-1-pentanol 9.75
    methyl formate 36.76
    2-methyl-1-butanol 11.36
    n-decane 0.73
    butyronitrile 7.93
    3,7-dimethyl-1-octanol 6.6
    1-chlorooctane 3.53
    1-chlorotetradecane 1.71
    n-nonane 0.61
    undecane 0.62
    tert-butylcyclohexane 0.42
    cyclooctane 0.16
    cyclopentanol 12.2
    tetrahydropyran 6.36
    tert-amyl methyl ether 9.69
    2,5,8-trioxanonane 29.94
    1-hexene 1.9
    2-isopropoxyethanol 18.85
    2,2,2-trifluoroethanol 6.54
    methyl butyrate 8.58

    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