6-Methylquinoline

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  • Identifiers

    CAS number
    91-62-3

    Molecular formula
    C10H9N

    SMILES
    CC1=CC2=C(C=C1)N=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 75.43%
    Floral 72.85%
    Animal 67.43%
    Tobacco 58.13%
    Leathery 49.3%
    Woody 47.9%
    Earthy 45.33%
    Herbal 41.36%
    Musty 40.09%
    Phenolic 39.54%

     

    Flavor
    Tobacco 47.23%
    Fecal 38.58%
    Leather 37.2%
    Nutty 36.86%
    Musty 33.42%
    Earthy 31.75%
    Coffee 29.32%
    Animal 28.71%
    Phenolic 28.42%
    Civet 27.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.56 (weak acid)

    Molecular weight
    143.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -8 °F (NTP, 1992)
    • -22 °C

    Boiling point

    • 497.5 °F at 760 mmHg (NTP, 1992)
    • 259.00 to 261.00 °C. @ 760.00 mm Hg

    Flash point

    • 103.13 ˚C est.
    • greater than 235 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 63 °F (NTP, 1992)
    • Soluble in benzene and ether; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 6-METHYLQUINOLINE
    • 91-62-3
    • p-Toluquinoline
    • Quinoline, 6-methyl-
    • 6-methyl-Quinoline
    • Tolliquinoline, p-
    • FEMA No. 2744
    • CCRIS 407
    • NSC 4152
    • 6-methyl quinoline
    • p-Tolliquinoline
    • EINECS 202-084-6
    • BRN 0110336
    • DTXSID3020887
    • UNII-K14453I13N
    • AI3-08869
    • NSC-4152
    • K14453I13N
    • METHYLQUINOLINE, 6-
    • DTXCID50887
    • FEMA 2744
    • 6-METHYLQUINOLINE [FHFI]
    • 5-20-07-00400 (Beilstein Handbook Reference)
    • Quinoline, 6-methyl- (8CI,9CI)
    • CAS-91-62-3
    • MFCD00006804
    • 6-Methylquinoline, 98%
    • MLS002303009
    • SCHEMBL130884
    • NISTC91623
    • CHEMBL1412508
    • NSC4152
    • CHEBI:140761
    • Quinoline, 6-methyl-(8ci,9ci)
    • 6-Methylquinoline, >=98%, FG
    • HMS3039C14
    • Tox21_202379
    • Tox21_300320
    • 6-Methylquinoline, analytical standard
    • AKOS005207038
    • AC-5219
    • NCGC00091226-01
    • NCGC00091226-02
    • NCGC00091226-03
    • NCGC00253998-01
    • NCGC00259928-01
    • AS-11473
    • SMR001307317
    • DB-011140
    • M0416
    • NS00012991
    • EN300-28823
    • AC-907/25014269
    • Q27281809
    • Z277960616
    • 202-084-6

  • Applications

    6-Methylquinoline (6-MQ, CAS 91-62-3) is an aromatic quinoline derivative bearing a methyl group at the 6-position, widely exploited as a pharmaceutical intermediate for synthesizing antimalarial, antibacterial and anticancer agents, and as a heteroaromatic scaffold for attaching functional moieties to generate fluorescent probes for bio-labelling; in agrochemistry it serves as a precursor to pesticides and plant-growth regulators, while in materials science its electron-transport character is harnessed to fabricate OLED emitters, photosensitizers for dye-sensitized solar cells, and ligands in transition-metal catalysts; the compound also finds use as a steel corrosion inhibitor, an analytical reagent for metal-ion detection, a flavor component imparting a mild tobacco-like note, and a model substrate for fundamental studies of photophysics, toxicity and reaction mechanisms in organic and materials laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.22
    methanol 69.29
    isopropanol 82.73
    water 0.21
    ethyl acetate 260.11
    n-propanol 113.51
    acetone 287.17
    n-butanol 109.79
    acetonitrile 206.83
    DMF 355.02
    toluene 273.66
    isobutanol 84.92
    1,4-dioxane 495.82
    methyl acetate 236.18
    THF 479.69
    2-butanone 282.91
    n-pentanol 100.66
    sec-butanol 80.45
    n-hexane 48.74
    ethylene glycol 16.07
    NMP 197.84
    cyclohexane 53.18
    DMSO 249.1
    n-butyl acetate 474.33
    n-octanol 95.99
    chloroform 529.08
    n-propyl acetate 213.21
    acetic acid 88.74
    dichloromethane 781.2
    cyclohexanone 377.13
    propylene glycol 15.96
    isopropyl acetate 131.12
    DMAc 224.19
    2-ethoxyethanol 112.38
    isopentanol 91.64
    n-heptane 123.97
    ethyl formate 217.31
    1,2-dichloroethane 482.9
    n-hexanol 238.59
    2-methoxyethanol 152.99
    isobutyl acetate 132.94
    tetrachloromethane 102.47
    n-pentyl acetate 163.21
    transcutol 417.98
    n-heptanol 100.21
    ethylbenzene 155.34
    MIBK 127.55
    2-propoxyethanol 255.93
    tert-butanol 95.43
    MTBE 129.89
    2-butoxyethanol 127.19
    propionic acid 85.37
    o-xylene 143.93
    formic acid 16.45
    diethyl ether 255.16
    m-xylene 166.26
    p-xylene 168.7
    chlorobenzene 238.41
    dimethyl carbonate 89.56
    n-octane 36.91
    formamide 44.45
    cyclopentanone 360.64
    2-pentanone 241.9
    anisole 194.7
    cyclopentyl methyl ether 250.06
    gamma-butyrolactone 370.71
    1-methoxy-2-propanol 109.61
    pyridine 427.51
    3-pentanone 216.0
    furfural 292.5
    n-dodecane 23.87
    diethylene glycol 100.57
    diisopropyl ether 68.35
    tert-amyl alcohol 80.24
    acetylacetone 213.54
    n-hexadecane 27.41
    acetophenone 162.85
    methyl propionate 189.8
    isopentyl acetate 281.3
    trichloroethylene 685.23
    n-nonanol 85.45
    cyclohexanol 96.24
    benzyl alcohol 112.03
    2-ethylhexanol 175.06
    isooctanol 73.76
    dipropyl ether 368.89
    1,2-dichlorobenzene 179.28
    ethyl lactate 56.16
    propylene carbonate 206.34
    n-methylformamide 146.82
    2-pentanol 70.79
    n-pentane 36.33
    1-propoxy-2-propanol 190.04
    1-methoxy-2-propyl acetate 210.17
    2-(2-methoxypropoxy) propanol 116.29
    mesitylene 86.08
    ε-caprolactone 293.0
    p-cymene 121.53
    epichlorohydrin 493.46
    1,1,1-trichloroethane 317.24
    2-aminoethanol 33.29
    morpholine-4-carbaldehyde 281.85
    sulfolane 262.38
    2,2,4-trimethylpentane 16.06
    2-methyltetrahydrofuran 346.66
    n-hexyl acetate 190.95
    isooctane 13.66
    2-(2-butoxyethoxy)ethanol 152.18
    sec-butyl acetate 113.93
    tert-butyl acetate 114.84
    decalin 37.41
    glycerin 25.02
    diglyme 347.9
    acrylic acid 65.65
    isopropyl myristate 83.6
    n-butyric acid 139.46
    acetyl acetate 130.23
    di(2-ethylhexyl) phthalate 64.32
    ethyl propionate 171.33
    nitromethane 199.72
    1,2-diethoxyethane 325.85
    benzonitrile 201.87
    trioctyl phosphate 52.31
    1-bromopropane 318.92
    gamma-valerolactone 375.79
    n-decanol 68.47
    triethyl phosphate 79.52
    4-methyl-2-pentanol 45.75
    propionitrile 210.17
    vinylene carbonate 212.99
    1,1,2-trichlorotrifluoroethane 132.11
    DMS 132.06
    cumene 99.08
    2-octanol 66.18
    2-hexanone 219.13
    octyl acetate 104.21
    limonene 161.16
    1,2-dimethoxyethane 355.18
    ethyl orthosilicate 80.54
    tributyl phosphate 65.47
    diacetone alcohol 100.84
    N,N-dimethylaniline 141.74
    acrylonitrile 218.57
    aniline 149.36
    1,3-propanediol 60.29
    bromobenzene 281.45
    dibromomethane 512.53
    1,1,2,2-tetrachloroethane 388.17
    2-methyl-cyclohexyl acetate 136.32
    tetrabutyl urea 96.89
    diisobutyl methanol 87.9
    2-phenylethanol 164.19
    styrene 170.35
    dioctyl adipate 99.29
    dimethyl sulfate 102.69
    ethyl butyrate 266.51
    methyl lactate 45.7
    butyl lactate 77.1
    diethyl carbonate 146.43
    propanediol butyl ether 70.51
    triethyl orthoformate 137.12
    p-tert-butyltoluene 100.73
    methyl 4-tert-butylbenzoate 123.37
    morpholine 407.91
    tert-butylamine 71.75
    n-dodecanol 59.48
    dimethoxymethane 284.09
    ethylene carbonate 191.35
    cyrene 92.57
    2-ethoxyethyl acetate 199.41
    2-ethylhexyl acetate 253.02
    1,2,4-trichlorobenzene 182.29
    4-methylpyridine 398.29
    dibutyl ether 204.94
    2,6-dimethyl-4-heptanol 87.9
    DEF 257.34
    dimethyl isosorbide 206.28
    tetrachloroethylene 281.48
    eugenol 116.28
    triacetin 124.48
    span 80 86.65
    1,4-butanediol 31.32
    1,1-dichloroethane 368.3
    2-methyl-1-pentanol 89.7
    methyl formate 140.08
    2-methyl-1-butanol 87.68
    n-decane 39.79
    butyronitrile 226.6
    3,7-dimethyl-1-octanol 83.26
    1-chlorooctane 116.64
    1-chlorotetradecane 50.39
    n-nonane 42.13
    undecane 30.2
    tert-butylcyclohexane 33.38
    cyclooctane 27.19
    cyclopentanol 98.93
    tetrahydropyran 422.09
    tert-amyl methyl ether 109.35
    2,5,8-trioxanonane 217.3
    1-hexene 167.57
    2-isopropoxyethanol 93.79
    2,2,2-trifluoroethanol 33.98
    methyl butyrate 235.8

    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