4-Hydroxyquinoline

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  • Identifiers

    CAS number
    611-36-9

    Molecular formula
    C9H7NO

    SMILES
    C1=CC=C2C(=C1)C(=O)C=CN2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 44.21%
    Burnt 43.51%
    Phenolic 42.93%
    Bitter 38.93%
    Animal 37.56%
    Nutty 37.38%
    Coumarinic 35.62%
    Musty 34.68%
    Almond 31.77%
    Floral 29.99%

     

    Flavor
    Bitter 84.44%
    Balsam 23.72%
    Moth ball 22.98%
    Naphthelene 22.62%
    Tonka 22.51%
    Very strong 22.3%
    Indole 22.03%
    Sweet 21.54%
    Nitrile 21.23%
    Tar 20.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.29 (neutral)

    Molecular weight
    145.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 155.01 ˚C est.

  • Synonyms

    • 4-Hydroxyquinoline
    • Quinolin-4-ol
    • 611-36-9
    • 1H-quinolin-4-one
    • Kynurine
    • M1O131WXFO
    • DTXSID50209980
    • CHEBI:15815
    • RefChem:524086
    • DTXCID00132471
    • 210-268-2
    • 4-Quinolinol
    • quinolin-4(1H)-one
    • 4(1H)-Quinolinone
    • 529-37-3
    • 4-Quinolone
    • MFCD00006777
    • Quinoline, 4-hydroxy-
    • 4-hydroxy quinoline
    • CCRIS 4329
    • 4-Chinolinol
    • NSC 3183
    • 1,4-dihydroquinolin-4-one
    • MFCD00956391
    • NSC-3183
    • NSC-263800
    • NSC 263800; ?-Quinolone
    • 4-Oxoquinoline
    • 4(1H)-quinolone
    • EINECS 210-268-2
    • UNII-M1O131WXFO
    • BRN 1524969
    • quinoline-4-ol
    • 3kpu
    • 1,4-Dihydro-4-quinolinone; 1H-4-Oxoquinoline; 1H-Quinolin-4-one; 4-Quinolone;
    • 1H-quinoline-4one
    • 4-hydroxy-quinoline
    • 4-OXO-1,4-DIHYDROQUINOLINE
    • Ivacaftor Impurity 13
    • 4-Quinolinol, 98%
    • Quinolin-4(1H);-one
    • 1,4-Dihydro-4-quinolinone
    • Oprea1_521432
    • SCHEMBL10031
    • 4-Quinolinol (8CI,9CI)
    • SCHEMBL128548
    • SCHEMBL128549
    • SCHEMBL223036
    • SCHEMBL223037
    • SCHEMBL442600
    • SCHEMBL993688
    • orb1303001
    • SCHEMBL1387648
    • SCHEMBL3353001
    • SCHEMBL3353907
    • SCHEMBL3356786
    • SCHEMBL5391951
    • SCHEMBL5776544
    • SCHEMBL5798064
    • SCHEMBL8114720
    • SCHEMBL8114871
    • SCHEMBL9383620
    • CHEMBL1232567
    • SCHEMBL25254110
    • BDBM14321
    • NSC3183
    • CHEBI:155900
    • KUC100207N
    • ALBB-019954
    • CS-D1012
    • AB4075
    • AC-516
    • EBC-76050
    • KUC100207
    • NSC263800
    • SBB086405
    • STL129466
    • STL445698
    • AKOS000277429
    • AKOS005738113
    • FH40512
    • PB43148
    • SB67475
    • AS-10846
    • DA-05172
    • HY-59208
    • SY002846
    • SY105850
    • DB-031602
    • EU-0033653
    • NS00034582
    • Q0029
    • ST50308193
    • EN300-54449
    • C06343
    • 529H373
    • F050335
    • Q27098240
    • F0266-1090
    • Z818727120
    • InChI=1/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11
    • 611-36-9

  • Applications

    4-Hydroxyquinoline (CAS 611-36-9) is used as a synthetic building block in pharmaceutical and agrochemical research to develop quinoline-based compounds; it also serves as an important intermediate in the manufacture of quinoline-derived dyes and pigments; in coordination chemistry it forms metal complexes that are used as analytical reagents or catalysts; in materials and polymer chemistry it provides a scaffold for functionalized heterocycles employed in specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.64
    methanol 14.5
    isopropanol 20.07
    water 0.94
    ethyl acetate 20.13
    n-propanol 20.72
    acetone 46.67
    n-butanol 17.93
    acetonitrile 16.98
    DMF 119.76
    toluene 2.18
    isobutanol 17.62
    1,4-dioxane 107.99
    methyl acetate 24.99
    THF 118.12
    2-butanone 40.46
    n-pentanol 24.22
    sec-butanol 16.97
    n-hexane 1.21
    ethylene glycol 8.41
    NMP 106.07
    cyclohexane 0.26
    DMSO 242.0
    n-butyl acetate 31.2
    n-octanol 15.85
    chloroform 21.35
    n-propyl acetate 34.75
    acetic acid 31.95
    dichloromethane 28.6
    cyclohexanone 56.13
    propylene glycol 5.37
    isopropyl acetate 17.82
    DMAc 86.5
    2-ethoxyethanol 58.93
    isopentanol 21.43
    n-heptane 1.66
    ethyl formate 17.83
    1,2-dichloroethane 31.54
    n-hexanol 26.88
    2-methoxyethanol 67.82
    isobutyl acetate 24.64
    tetrachloromethane 4.41
    n-pentyl acetate 26.67
    transcutol 177.09
    n-heptanol 19.02
    ethylbenzene 4.93
    MIBK 28.62
    2-propoxyethanol 69.75
    tert-butanol 26.01
    MTBE 16.95
    2-butoxyethanol 49.62
    propionic acid 19.68
    o-xylene 3.71
    formic acid 14.76
    diethyl ether 15.97
    m-xylene 4.44
    p-xylene 8.91
    chlorobenzene 8.62
    dimethyl carbonate 14.27
    n-octane 1.04
    formamide 34.62
    cyclopentanone 92.04
    2-pentanone 33.08
    anisole 19.91
    cyclopentyl methyl ether 33.19
    gamma-butyrolactone 109.52
    1-methoxy-2-propanol 49.17
    pyridine 32.14
    3-pentanone 22.98
    furfural 76.01
    n-dodecane 1.11
    diethylene glycol 64.47
    diisopropyl ether 6.25
    tert-amyl alcohol 21.48
    acetylacetone 43.26
    n-hexadecane 1.25
    acetophenone 28.46
    methyl propionate 21.01
    isopentyl acetate 27.26
    trichloroethylene 53.5
    n-nonanol 15.34
    cyclohexanol 13.82
    benzyl alcohol 20.38
    2-ethylhexanol 17.48
    isooctanol 18.48
    dipropyl ether 19.22
    1,2-dichlorobenzene 12.12
    ethyl lactate 21.95
    propylene carbonate 41.37
    n-methylformamide 40.17
    2-pentanol 13.97
    n-pentane 0.55
    1-propoxy-2-propanol 42.6
    1-methoxy-2-propyl acetate 33.94
    2-(2-methoxypropoxy) propanol 44.74
    mesitylene 3.98
    ε-caprolactone 49.82
    p-cymene 7.2
    epichlorohydrin 123.81
    1,1,1-trichloroethane 17.6
    2-aminoethanol 16.77
    morpholine-4-carbaldehyde 125.11
    sulfolane 156.4
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 61.72
    n-hexyl acetate 31.91
    isooctane 0.91
    2-(2-butoxyethoxy)ethanol 66.76
    sec-butyl acetate 20.03
    tert-butyl acetate 23.15
    decalin 1.1
    glycerin 18.17
    diglyme 120.46
    acrylic acid 18.8
    isopropyl myristate 13.89
    n-butyric acid 26.08
    acetyl acetate 13.66
    di(2-ethylhexyl) phthalate 15.05
    ethyl propionate 24.37
    nitromethane 68.28
    1,2-diethoxyethane 44.41
    benzonitrile 22.21
    trioctyl phosphate 12.97
    1-bromopropane 11.85
    gamma-valerolactone 127.14
    n-decanol 12.39
    triethyl phosphate 16.04
    4-methyl-2-pentanol 12.72
    propionitrile 16.46
    vinylene carbonate 31.69
    1,1,2-trichlorotrifluoroethane 56.13
    DMS 26.45
    cumene 6.6
    2-octanol 13.85
    2-hexanone 43.02
    octyl acetate 17.62
    limonene 8.38
    1,2-dimethoxyethane 109.01
    ethyl orthosilicate 14.73
    tributyl phosphate 15.18
    diacetone alcohol 41.35
    N,N-dimethylaniline 18.69
    acrylonitrile 22.92
    aniline 9.62
    1,3-propanediol 28.76
    bromobenzene 5.96
    dibromomethane 14.98
    1,1,2,2-tetrachloroethane 39.61
    2-methyl-cyclohexyl acetate 21.99
    tetrabutyl urea 22.94
    diisobutyl methanol 11.99
    2-phenylethanol 25.04
    styrene 4.44
    dioctyl adipate 20.47
    dimethyl sulfate 40.27
    ethyl butyrate 22.31
    methyl lactate 18.71
    butyl lactate 26.18
    diethyl carbonate 15.77
    propanediol butyl ether 38.66
    triethyl orthoformate 17.45
    p-tert-butyltoluene 6.7
    methyl 4-tert-butylbenzoate 33.64
    morpholine 99.9
    tert-butylamine 12.93
    n-dodecanol 9.83
    dimethoxymethane 61.55
    ethylene carbonate 27.14
    cyrene 44.0
    2-ethoxyethyl acetate 39.83
    2-ethylhexyl acetate 21.34
    1,2,4-trichlorobenzene 16.26
    4-methylpyridine 27.85
    dibutyl ether 18.27
    2,6-dimethyl-4-heptanol 11.99
    DEF 40.95
    dimethyl isosorbide 69.39
    tetrachloroethylene 24.37
    eugenol 41.32
    triacetin 32.56
    span 80 30.47
    1,4-butanediol 18.11
    1,1-dichloroethane 18.58
    2-methyl-1-pentanol 23.8
    methyl formate 28.6
    2-methyl-1-butanol 17.75
    n-decane 1.61
    butyronitrile 17.52
    3,7-dimethyl-1-octanol 15.81
    1-chlorooctane 8.33
    1-chlorotetradecane 3.85
    n-nonane 1.42
    undecane 1.32
    tert-butylcyclohexane 1.68
    cyclooctane 0.19
    cyclopentanol 23.56
    tetrahydropyran 38.34
    tert-amyl methyl ether 14.88
    2,5,8-trioxanonane 76.85
    1-hexene 6.43
    2-isopropoxyethanol 44.87
    2,2,2-trifluoroethanol 20.75
    methyl butyrate 36.12

    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