6-(sec-Butyl)quinoline

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  • Identifiers

    CAS number
    65442-31-1

    Molecular formula
    C13H15N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 66.19%
    Green 56.76%
    Animal 55.97%
    Leathery 50.7%
    Herbal 40.51%
    Nutty 36.84%
    Leafy 31.85%
    Tobacco 30.64%
    Musty 30.47%
    Vetiver 29.35%

     

    Flavor
    Herbal 43.12%
    Woody 41.32%
    Green 36.14%
    Pepper 29.47%
    Musty 29.01%
    Wood 27.99%
    Spice 25.67%
    Earthy 25.3%
    Spicy 24.51%
    Citrus 21.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.31 (neutral)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 132.3 ˚C est.

  • Synonyms

    • 6-sec-Butylquinoline
    • sec-Butylquinoline
    • 65442-31-1
    • 6-butan-2-ylquinoline
    • Quinoline, 6-(1-methylpropyl)-
    • 6-(sec-Butyl)quinoline
    • 6-(1-methylpropyl)quinoline
    • EINECS 265-777-2
    • isobutylquinoleine
    • 6-Sec-butyl quinoline
    • SAP55IYM36
    • 6-(SEC-BUTYL)QUINOLINE, (+/-)-
    • 6- and 8-sec-Butylquinoline (80/20)
    • 6-(Butan-2-yl)quinoline
    • 6- and 8-sec-Butylquinoline
    • 6-(1-Methylpropyl)-chinolin
    • SCHEMBL114725
    • DTXSID4052340
    • SCHEMBL20309118
    • 6-and 8-sec-Butylquinoline (80/20)
    • DB-369386
    • HY-153204
    • CS-0654978
    • NS00012068
    • Q27289113
    • Quinoline, 6-(sec-butyl)-mixed with 8-(sec-butyl)quinoline (4:1)
    • 265-777-2

  • Applications

    6-(sec-Butyl)quinoline is primarily used as a building block in the synthesis of quinoline-based compounds for pharmaceutical and agrochemical R&D, providing a core scaffold for quinoline derivatives targeted at drug discovery and crop protection agents. It is also employed as a precursor for dyes and specialty quinoline-based materials, and may serve as a starting point for synthesizing quinoline ligands for metal-catalysis in industrial settings. In addition, some research explores its use as a scaffold for electronic and optoelectronic materials, such as fluorescent or semiconductor-related quinoline derivatives, for materials science applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 549.56
    methanol 399.23
    isopropanol 252.38
    water 0.04
    ethyl acetate 2054.81
    n-propanol 543.81
    acetone 1916.98
    n-butanol 479.54
    acetonitrile 984.08
    DMF 2358.01
    toluene 1456.18
    isobutanol 338.78
    1,4-dioxane 2452.23
    methyl acetate 1469.12
    THF 2461.37
    2-butanone 1845.79
    n-pentanol 288.02
    sec-butanol 264.32
    n-hexane 62.45
    ethylene glycol 35.4
    NMP 956.97
    cyclohexane 99.44
    DMSO 1068.29
    n-butyl acetate 1492.7
    n-octanol 58.61
    chloroform 2808.58
    n-propyl acetate 762.07
    acetic acid 300.21
    dichloromethane 4957.76
    cyclohexanone 1885.03
    propylene glycol 42.59
    isopropyl acetate 779.03
    DMAc 1205.08
    2-ethoxyethanol 542.5
    isopentanol 373.07
    n-heptane 29.02
    ethyl formate 710.77
    1,2-dichloroethane 4768.8
    n-hexanol 402.11
    2-methoxyethanol 1098.19
    isobutyl acetate 451.92
    tetrachloromethane 271.45
    n-pentyl acetate 391.47
    transcutol 2884.0
    n-heptanol 90.42
    ethylbenzene 380.38
    MIBK 537.52
    2-propoxyethanol 985.67
    tert-butanol 289.58
    MTBE 956.76
    2-butoxyethanol 259.09
    propionic acid 321.79
    o-xylene 440.29
    formic acid 62.83
    diethyl ether 2302.45
    m-xylene 569.01
    p-xylene 414.77
    chlorobenzene 1277.88
    dimethyl carbonate 503.22
    n-octane 9.65
    formamide 225.24
    cyclopentanone 1982.84
    2-pentanone 1448.51
    anisole 789.32
    cyclopentyl methyl ether 1241.89
    gamma-butyrolactone 1849.09
    1-methoxy-2-propanol 548.51
    pyridine 3165.36
    3-pentanone 1357.83
    furfural 1326.4
    n-dodecane 6.48
    diethylene glycol 366.27
    diisopropyl ether 299.66
    tert-amyl alcohol 264.47
    acetylacetone 1308.08
    n-hexadecane 8.24
    acetophenone 545.26
    methyl propionate 1573.15
    isopentyl acetate 1105.61
    trichloroethylene 5655.81
    n-nonanol 59.64
    cyclohexanol 330.59
    benzyl alcohol 376.02
    2-ethylhexanol 238.82
    isooctanol 77.36
    dipropyl ether 588.77
    1,2-dichlorobenzene 808.57
    ethyl lactate 122.95
    propylene carbonate 698.47
    n-methylformamide 867.1
    2-pentanol 246.33
    n-pentane 51.71
    1-propoxy-2-propanol 503.77
    1-methoxy-2-propyl acetate 1026.05
    2-(2-methoxypropoxy) propanol 261.32
    mesitylene 236.46
    ε-caprolactone 1250.93
    p-cymene 150.0
    epichlorohydrin 3627.14
    1,1,1-trichloroethane 1619.6
    2-aminoethanol 121.24
    morpholine-4-carbaldehyde 1440.13
    sulfolane 1242.6
    2,2,4-trimethylpentane 27.37
    2-methyltetrahydrofuran 1800.15
    n-hexyl acetate 396.62
    isooctane 21.7
    2-(2-butoxyethoxy)ethanol 440.65
    sec-butyl acetate 458.56
    tert-butyl acetate 681.47
    decalin 50.78
    glycerin 69.53
    diglyme 1215.18
    acrylic acid 245.88
    isopropyl myristate 122.8
    n-butyric acid 604.4
    acetyl acetate 669.73
    di(2-ethylhexyl) phthalate 116.16
    ethyl propionate 665.28
    nitromethane 1253.98
    1,2-diethoxyethane 1695.23
    benzonitrile 626.76
    trioctyl phosphate 67.56
    1-bromopropane 1784.53
    gamma-valerolactone 2399.74
    n-decanol 44.98
    triethyl phosphate 175.32
    4-methyl-2-pentanol 136.65
    propionitrile 835.69
    vinylene carbonate 734.78
    1,1,2-trichlorotrifluoroethane 757.51
    DMS 580.36
    cumene 172.58
    2-octanol 50.41
    2-hexanone 687.28
    octyl acetate 152.83
    limonene 229.12
    1,2-dimethoxyethane 1525.25
    ethyl orthosilicate 188.53
    tributyl phosphate 121.38
    diacetone alcohol 446.16
    N,N-dimethylaniline 351.01
    acrylonitrile 1046.73
    aniline 1035.65
    1,3-propanediol 283.22
    bromobenzene 1543.46
    dibromomethane 2633.34
    1,1,2,2-tetrachloroethane 2948.39
    2-methyl-cyclohexyl acetate 358.79
    tetrabutyl urea 148.27
    diisobutyl methanol 115.66
    2-phenylethanol 478.19
    styrene 623.12
    dioctyl adipate 182.91
    dimethyl sulfate 495.53
    ethyl butyrate 688.44
    methyl lactate 169.06
    butyl lactate 184.87
    diethyl carbonate 387.44
    propanediol butyl ether 138.25
    triethyl orthoformate 360.11
    p-tert-butyltoluene 138.76
    methyl 4-tert-butylbenzoate 223.57
    morpholine 2749.49
    tert-butylamine 197.2
    n-dodecanol 36.45
    dimethoxymethane 2143.29
    ethylene carbonate 645.12
    cyrene 213.72
    2-ethoxyethyl acetate 848.95
    2-ethylhexyl acetate 876.72
    1,2,4-trichlorobenzene 887.93
    4-methylpyridine 2771.98
    dibutyl ether 322.88
    2,6-dimethyl-4-heptanol 115.66
    DEF 1847.1
    dimethyl isosorbide 645.36
    tetrachloroethylene 1877.06
    eugenol 235.22
    triacetin 292.55
    span 80 168.16
    1,4-butanediol 73.88
    1,1-dichloroethane 2232.56
    2-methyl-1-pentanol 303.79
    methyl formate 619.6
    2-methyl-1-butanol 392.61
    n-decane 10.96
    butyronitrile 768.43
    3,7-dimethyl-1-octanol 100.06
    1-chlorooctane 88.76
    1-chlorotetradecane 32.98
    n-nonane 10.07
    undecane 8.18
    tert-butylcyclohexane 44.68
    cyclooctane 30.08
    cyclopentanol 277.34
    tetrahydropyran 2477.55
    tert-amyl methyl ether 574.07
    2,5,8-trioxanonane 566.32
    1-hexene 370.06
    2-isopropoxyethanol 353.2
    2,2,2-trifluoroethanol 86.35
    methyl butyrate 880.81

    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