6-Butylquinoline

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  • Identifiers

    CAS number
    7634-74-4

    Molecular formula
    C13H15N

    SMILES
    CCCCC1=CC2=C(C=C1)N=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Earthy 66.22%
    Green 57.38%
    Animal 56.82%
    Sweet 52.86%
    Leathery 45.08%
    Herbal 42.0%
    Nutty 41.12%
    Tobacco 39.36%
    Musty 37.48%
    Fatty 29.56%

     

    Flavor
    Woody 41.25%
    Herbal 40.25%
    Green 39.46%
    Earthy 39.15%
    Spicy 34.39%
    Musty 34.12%
    Fatty 30.58%
    Fruity 30.09%
    Nutty 29.95%
    Pepper 28.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.1 (neutral)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 135.1 ˚C est.

  • Synonyms

    • 6-Butylquinoline
    • Quinoline, 6-butyl-
    • Quinoline, butyl-
    • K0BBK7OARM
    • UNII-K0BBK7OARM
    • EINECS 231-564-8
    • DTXSID5064758
    • EINECS 258-564-0
    • RefChem:104348
    • DTXCID5047871
    • 231-564-8
    • 258-564-0
    • HIFRWMLBTWKDIH-UHFFFAOYSA-N
    • 7634-74-4
    • 53452-65-6
    • 6-butyl-quinoline
    • SCHEMBL5540682
    • SCHEMBL6115157
    • SCHEMBL29827516
    • NS00012067
    • Q27281776
    • 53452-65-6

  • Applications

    6-Butylquinoline (CAS 7634-74-4) is used primarily as an intermediate and building block in organic synthesis. In practice, it is commonly evaluated as a precursor for the preparation of more complex quinoline-based structures in pharmaceutical and agrochemical research. It also serves as a starting material for the synthesis of dyes and pigments and can function as a building block in polymer and materials chemistry for quinoline-containing architectures. Additionally, it may be encountered in fragrance applications as a potential odorant or fragrance precursor, depending on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 762.89
    methanol 571.75
    isopropanol 368.03
    water 0.03
    ethyl acetate 2314.98
    n-propanol 632.89
    acetone 2972.37
    n-butanol 620.34
    acetonitrile 1181.67
    DMF 2757.23
    toluene 1218.93
    isobutanol 439.76
    1,4-dioxane 2573.56
    methyl acetate 1606.0
    THF 2628.08
    2-butanone 1969.26
    n-pentanol 441.12
    sec-butanol 340.19
    n-hexane 110.22
    ethylene glycol 66.44
    NMP 964.53
    cyclohexane 128.55
    DMSO 1740.09
    n-butyl acetate 1851.69
    n-octanol 109.59
    chloroform 2831.97
    n-propyl acetate 1015.18
    acetic acid 435.27
    dichloromethane 4759.54
    cyclohexanone 1938.42
    propylene glycol 81.27
    isopropyl acetate 957.54
    DMAc 1394.82
    2-ethoxyethanol 786.47
    isopentanol 517.52
    n-heptane 57.98
    ethyl formate 842.59
    1,2-dichloroethane 4354.41
    n-hexanol 631.39
    2-methoxyethanol 1403.81
    isobutyl acetate 679.97
    tetrachloromethane 249.88
    n-pentyl acetate 486.8
    transcutol 3900.56
    n-heptanol 140.08
    ethylbenzene 409.41
    MIBK 721.03
    2-propoxyethanol 1256.24
    tert-butanol 409.32
    MTBE 1110.6
    2-butoxyethanol 358.83
    propionic acid 418.38
    o-xylene 400.2
    formic acid 80.16
    diethyl ether 2397.21
    m-xylene 536.32
    p-xylene 434.78
    chlorobenzene 1176.58
    dimethyl carbonate 585.38
    n-octane 21.89
    formamide 240.15
    cyclopentanone 2018.21
    2-pentanone 1753.52
    anisole 848.43
    cyclopentyl methyl ether 1342.64
    gamma-butyrolactone 1930.6
    1-methoxy-2-propanol 785.8
    pyridine 2692.04
    3-pentanone 1368.34
    furfural 1444.38
    n-dodecane 15.58
    diethylene glycol 556.48
    diisopropyl ether 359.48
    tert-amyl alcohol 348.36
    acetylacetone 1779.79
    n-hexadecane 19.04
    acetophenone 597.8
    methyl propionate 1663.8
    isopentyl acetate 1307.49
    trichloroethylene 5557.74
    n-nonanol 107.34
    cyclohexanol 426.19
    benzyl alcohol 442.55
    2-ethylhexanol 376.91
    isooctanol 118.92
    dipropyl ether 859.47
    1,2-dichlorobenzene 792.33
    ethyl lactate 180.62
    propylene carbonate 850.89
    n-methylformamide 911.55
    2-pentanol 332.94
    n-pentane 73.74
    1-propoxy-2-propanol 718.16
    1-methoxy-2-propyl acetate 1156.73
    2-(2-methoxypropoxy) propanol 332.36
    mesitylene 244.22
    ε-caprolactone 1392.16
    p-cymene 187.38
    epichlorohydrin 3492.79
    1,1,1-trichloroethane 1745.58
    2-aminoethanol 183.56
    morpholine-4-carbaldehyde 1554.63
    sulfolane 1489.94
    2,2,4-trimethylpentane 37.17
    2-methyltetrahydrofuran 1805.19
    n-hexyl acetate 565.49
    isooctane 30.93
    2-(2-butoxyethoxy)ethanol 593.44
    sec-butyl acetate 611.57
    tert-butyl acetate 816.82
    decalin 75.14
    glycerin 126.15
    diglyme 1542.54
    acrylic acid 329.33
    isopropyl myristate 184.05
    n-butyric acid 784.94
    acetyl acetate 835.86
    di(2-ethylhexyl) phthalate 146.1
    ethyl propionate 813.62
    nitromethane 1394.1
    1,2-diethoxyethane 2141.44
    benzonitrile 737.07
    trioctyl phosphate 96.13
    1-bromopropane 1757.55
    gamma-valerolactone 2484.61
    n-decanol 84.33
    triethyl phosphate 203.64
    4-methyl-2-pentanol 184.17
    propionitrile 899.23
    vinylene carbonate 840.13
    1,1,2-trichlorotrifluoroethane 973.4
    DMS 670.38
    cumene 209.58
    2-octanol 85.05
    2-hexanone 970.41
    octyl acetate 234.22
    limonene 290.58
    1,2-dimethoxyethane 1972.65
    ethyl orthosilicate 222.94
    tributyl phosphate 164.33
    diacetone alcohol 584.94
    N,N-dimethylaniline 403.9
    acrylonitrile 1153.26
    aniline 942.54
    1,3-propanediol 394.97
    bromobenzene 1490.37
    dibromomethane 2672.8
    1,1,2,2-tetrachloroethane 3150.06
    2-methyl-cyclohexyl acetate 415.55
    tetrabutyl urea 204.27
    diisobutyl methanol 170.65
    2-phenylethanol 544.63
    styrene 648.56
    dioctyl adipate 256.1
    dimethyl sulfate 570.56
    ethyl butyrate 842.96
    methyl lactate 233.79
    butyl lactate 251.63
    diethyl carbonate 463.99
    propanediol butyl ether 217.54
    triethyl orthoformate 422.1
    p-tert-butyltoluene 169.58
    methyl 4-tert-butylbenzoate 257.26
    morpholine 2785.14
    tert-butylamine 285.83
    n-dodecanol 68.19
    dimethoxymethane 2469.2
    ethylene carbonate 772.3
    cyrene 247.47
    2-ethoxyethyl acetate 940.77
    2-ethylhexyl acetate 1009.43
    1,2,4-trichlorobenzene 838.32
    4-methylpyridine 2431.39
    dibutyl ether 544.42
    2,6-dimethyl-4-heptanol 170.65
    DEF 1904.27
    dimethyl isosorbide 692.36
    tetrachloroethylene 1983.15
    eugenol 284.19
    triacetin 376.71
    span 80 235.1
    1,4-butanediol 133.48
    1,1-dichloroethane 2355.26
    2-methyl-1-pentanol 436.57
    methyl formate 731.49
    2-methyl-1-butanol 507.11
    n-decane 25.82
    butyronitrile 949.19
    3,7-dimethyl-1-octanol 165.1
    1-chlorooctane 162.83
    1-chlorotetradecane 62.79
    n-nonane 25.03
    undecane 19.4
    tert-butylcyclohexane 66.21
    cyclooctane 41.29
    cyclopentanol 336.26
    tetrahydropyran 2439.36
    tert-amyl methyl ether 660.36
    2,5,8-trioxanonane 700.25
    1-hexene 597.94
    2-isopropoxyethanol 523.89
    2,2,2-trifluoroethanol 109.4
    methyl butyrate 1102.11

    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