4-Butylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74808-78-9

    Molecular formula
    C13H15N

    SMILES
    CCCCC1=CC=NC2=CC=CC=C12

    Safety labels

  • Odor profile

    Fragrance
    Earthy 59.01%
    Animal 58.81%
    Green 55.39%
    Herbal 50.38%
    Leathery 45.19%
    Sweet 39.52%
    Tobacco 36.73%
    Nutty 36.29%
    Musty 34.07%
    Fatty 32.56%

     

    Flavor
    Green 47.59%
    Herbal 46.98%
    Earthy 35.94%
    Pepper 32.97%
    Musty 31.31%
    Fatty 29.93%
    Woody 29.41%
    Spicy 28.44%
    Nutty 28.4%
    Roasted 26.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    5.97 (weak acid)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 133.83 ˚C est.

  • Synonyms

    • 4-butylquinoline
    • 74808-78-9
    • DTXSID90562501
    • RefChem:98259
    • DTXCID10513277
    • 4-butyl quinoline
    • SCHEMBL2237676
    • SCHEMBL3141360
    • SCHEMBL4870247
    • SCHEMBL30665033
    • MTSCTQMKKVEJHD-UHFFFAOYSA-N
    • AKOS006321344
    • NS00123581
    • 74808-78-9

  • Applications

    4-Butylquinoline (CAS 74808-78-9) is a specialized intermediate used in chemical synthesis. In pharmaceutical and agrochemical development, it serves as a building block for nitrogen-containing heterocycles and as a precursor in multi-step synthetic routes. It is also used as a starting material for specialty dyes and pigments used in coatings and inks, and as a scaffold for polymers and organic electronic materials. In fragrance and flavor-related applications, it may function as an odor-active intermediate or fragrance precursor. Its use is formulation- and regulation-dependent, with potential niche applications in industrial manufacturing as a useful building block for aromatic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 801.16
    methanol 606.71
    isopropanol 466.7
    water 0.03
    ethyl acetate 2472.02
    n-propanol 794.41
    acetone 3851.65
    n-butanol 764.67
    acetonitrile 1409.34
    DMF 4451.3
    toluene 2078.04
    isobutanol 598.58
    1,4-dioxane 3391.53
    methyl acetate 1994.56
    THF 3914.83
    2-butanone 2564.01
    n-pentanol 527.81
    sec-butanol 451.14
    n-hexane 202.77
    ethylene glycol 67.76
    NMP 2209.67
    cyclohexane 330.23
    DMSO 2616.82
    n-butyl acetate 2404.56
    n-octanol 177.98
    chloroform 4383.66
    n-propyl acetate 1226.72
    acetic acid 582.87
    dichloromethane 7343.85
    cyclohexanone 3515.57
    propylene glycol 83.53
    isopropyl acetate 1069.85
    DMAc 1876.15
    2-ethoxyethanol 725.04
    isopentanol 632.53
    n-heptane 113.37
    ethyl formate 1188.33
    1,2-dichloroethane 6636.06
    n-hexanol 914.29
    2-methoxyethanol 1507.79
    isobutyl acetate 807.15
    tetrachloromethane 515.31
    n-pentyl acetate 739.49
    transcutol 3364.25
    n-heptanol 212.18
    ethylbenzene 635.63
    MIBK 899.54
    2-propoxyethanol 1393.39
    tert-butanol 513.72
    MTBE 1237.4
    2-butoxyethanol 459.04
    propionic acid 612.51
    o-xylene 680.87
    formic acid 89.88
    diethyl ether 2805.6
    m-xylene 870.74
    p-xylene 685.51
    chlorobenzene 2035.5
    dimethyl carbonate 773.01
    n-octane 41.66
    formamide 286.14
    cyclopentanone 3666.88
    2-pentanone 2233.22
    anisole 1079.64
    cyclopentyl methyl ether 2255.08
    gamma-butyrolactone 3467.24
    1-methoxy-2-propanol 840.08
    pyridine 4223.31
    3-pentanone 1881.75
    furfural 2274.34
    n-dodecane 26.43
    diethylene glycol 545.47
    diisopropyl ether 457.25
    tert-amyl alcohol 448.87
    acetylacetone 2085.55
    n-hexadecane 32.99
    acetophenone 847.76
    methyl propionate 2055.83
    isopentyl acetate 1571.8
    trichloroethylene 8259.77
    n-nonanol 165.62
    cyclohexanol 785.03
    benzyl alcohol 606.6
    2-ethylhexanol 528.55
    isooctanol 176.0
    dipropyl ether 1119.65
    1,2-dichlorobenzene 1372.64
    ethyl lactate 226.09
    propylene carbonate 1443.44
    n-methylformamide 1351.08
    2-pentanol 430.77
    n-pentane 149.97
    1-propoxy-2-propanol 793.31
    1-methoxy-2-propyl acetate 1230.58
    2-(2-methoxypropoxy) propanol 363.19
    mesitylene 398.24
    ε-caprolactone 2335.88
    p-cymene 280.88
    epichlorohydrin 5031.65
    1,1,1-trichloroethane 2788.13
    2-aminoethanol 181.8
    morpholine-4-carbaldehyde 2264.58
    sulfolane 2823.44
    2,2,4-trimethylpentane 57.47
    2-methyltetrahydrofuran 2893.15
    n-hexyl acetate 859.94
    isooctane 45.83
    2-(2-butoxyethoxy)ethanol 644.83
    sec-butyl acetate 691.03
    tert-butyl acetate 895.17
    decalin 137.24
    glycerin 126.66
    diglyme 1672.25
    acrylic acid 503.0
    isopropyl myristate 254.29
    n-butyric acid 1021.2
    acetyl acetate 970.47
    di(2-ethylhexyl) phthalate 199.89
    ethyl propionate 992.69
    nitromethane 1952.55
    1,2-diethoxyethane 2085.04
    benzonitrile 1108.76
    trioctyl phosphate 141.8
    1-bromopropane 2635.78
    gamma-valerolactone 3783.04
    n-decanol 128.31
    triethyl phosphate 265.82
    4-methyl-2-pentanol 223.83
    propionitrile 1209.5
    vinylene carbonate 1369.14
    1,1,2-trichlorotrifluoroethane 1329.01
    DMS 862.69
    cumene 306.91
    2-octanol 136.99
    2-hexanone 1260.13
    octyl acetate 339.08
    limonene 473.54
    1,2-dimethoxyethane 2250.93
    ethyl orthosilicate 278.71
    tributyl phosphate 227.64
    diacetone alcohol 643.16
    N,N-dimethylaniline 560.15
    acrylonitrile 1569.62
    aniline 1491.61
    1,3-propanediol 431.57
    bromobenzene 2595.33
    dibromomethane 4187.88
    1,1,2,2-tetrachloroethane 4921.92
    2-methyl-cyclohexyl acetate 568.97
    tetrabutyl urea 313.57
    diisobutyl methanol 225.4
    2-phenylethanol 731.03
    styrene 993.37
    dioctyl adipate 345.28
    dimethyl sulfate 835.08
    ethyl butyrate 1051.56
    methyl lactate 288.07
    butyl lactate 358.01
    diethyl carbonate 574.77
    propanediol butyl ether 277.56
    triethyl orthoformate 509.74
    p-tert-butyltoluene 248.14
    methyl 4-tert-butylbenzoate 363.59
    morpholine 3712.35
    tert-butylamine 359.08
    n-dodecanol 105.14
    dimethoxymethane 3030.73
    ethylene carbonate 1280.85
    cyrene 335.41
    2-ethoxyethyl acetate 1154.95
    2-ethylhexyl acetate 1318.51
    1,2,4-trichlorobenzene 1449.1
    4-methylpyridine 3843.66
    dibutyl ether 730.18
    2,6-dimethyl-4-heptanol 225.4
    DEF 2637.66
    dimethyl isosorbide 856.21
    tetrachloroethylene 3158.76
    eugenol 376.83
    triacetin 483.61
    span 80 295.56
    1,4-butanediol 146.03
    1,1-dichloroethane 3569.71
    2-methyl-1-pentanol 501.27
    methyl formate 1123.83
    2-methyl-1-butanol 623.38
    n-decane 45.69
    butyronitrile 1238.64
    3,7-dimethyl-1-octanol 225.59
    1-chlorooctane 280.09
    1-chlorotetradecane 100.09
    n-nonane 45.66
    undecane 34.17
    tert-butylcyclohexane 103.31
    cyclooctane 100.65
    cyclopentanol 699.3
    tetrahydropyran 3841.24
    tert-amyl methyl ether 813.0
    2,5,8-trioxanonane 773.21
    1-hexene 917.89
    2-isopropoxyethanol 494.53
    2,2,2-trifluoroethanol 159.03
    methyl butyrate 1403.36

    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