2-Butylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7661-39-4

    Molecular formula
    C13H15N

    SMILES
    CCCCC1=NC2=CC=CC=C2C=C1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 59.26%
    Earthy 49.72%
    Leathery 41.41%
    Herbal 39.67%
    Green 38.28%
    Tobacco 33.72%
    Nutty 32.21%
    Musty 31.33%
    Burnt 31.26%
    Roasted 30.63%

     

    Flavor
    Green 65.09%
    Herbal 52.12%
    Earthy 41.79%
    Fatty 38.44%
    Pepper 37.59%
    Musty 32.71%
    Nutty 32.57%
    Spicy 31.07%
    Roasted 30.76%
    Vegetable 30.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.87 (weak acid)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    292°C

    Flash point

    • 129.02 ˚C est.

  • Synonyms

    • 2-Butylquinoline
    • Butylquinoline
    • Quinoline, 2-butyl-
    • 7661-39-4
    • DTXSID50332681
    • 2-butyl-quinoline
    • SCHEMBL538491
    • DTXCID40283774
    • AKOS024324666
    • DB-318872
    • NS00059054
    • 649-469-9

  • Applications

    2-Butylquinoline (CAS 7661-39-4) is primarily used as an organic-building block and chemical intermediate in industrial synthesis, serving in the preparation of diverse heterocyclic compounds for dyes and pigments, pharmaceuticals, and agrochemicals; it is also employed as a starting material for specialty polymers and materials, and as a precursor to more complex heteroaromatic compounds aimed at electronics-oriented materials and coatings/inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 421.75
    methanol 303.44
    isopropanol 237.81
    water 0.03
    ethyl acetate 1452.7
    n-propanol 374.91
    acetone 1808.29
    n-butanol 404.35
    acetonitrile 708.51
    DMF 1921.87
    toluene 956.74
    isobutanol 291.88
    1,4-dioxane 2202.13
    methyl acetate 1045.61
    THF 2141.53
    2-butanone 1264.58
    n-pentanol 333.15
    sec-butanol 239.24
    n-hexane 215.35
    ethylene glycol 34.8
    NMP 821.66
    cyclohexane 251.52
    DMSO 1154.43
    n-butyl acetate 1732.41
    n-octanol 160.95
    chloroform 2624.94
    n-propyl acetate 859.8
    acetic acid 347.36
    dichloromethane 3699.94
    cyclohexanone 1722.37
    propylene glycol 47.97
    isopropyl acetate 713.95
    DMAc 1119.69
    2-ethoxyethanol 455.24
    isopentanol 385.21
    n-heptane 124.61
    ethyl formate 625.93
    1,2-dichloroethane 3129.88
    n-hexanol 588.86
    2-methoxyethanol 745.82
    isobutyl acetate 653.45
    tetrachloromethane 247.8
    n-pentyl acetate 508.16
    transcutol 2824.13
    n-heptanol 164.95
    ethylbenzene 433.47
    MIBK 594.36
    2-propoxyethanol 837.15
    tert-butanol 301.82
    MTBE 780.74
    2-butoxyethanol 320.5
    propionic acid 277.11
    o-xylene 359.83
    formic acid 49.32
    diethyl ether 1689.95
    m-xylene 436.7
    p-xylene 494.46
    chlorobenzene 1037.74
    dimethyl carbonate 430.04
    n-octane 50.56
    formamide 129.47
    cyclopentanone 1615.12
    2-pentanone 1166.72
    anisole 763.16
    cyclopentyl methyl ether 1000.1
    gamma-butyrolactone 1508.18
    1-methoxy-2-propanol 471.54
    pyridine 2127.92
    3-pentanone 983.19
    furfural 1191.77
    n-dodecane 36.3
    diethylene glycol 348.18
    diisopropyl ether 313.19
    tert-amyl alcohol 263.91
    acetylacetone 1291.58
    n-hexadecane 43.49
    acetophenone 575.51
    methyl propionate 976.32
    isopentyl acetate 1286.09
    trichloroethylene 4164.9
    n-nonanol 152.91
    cyclohexanol 372.59
    benzyl alcohol 386.83
    2-ethylhexanol 427.33
    isooctanol 143.97
    dipropyl ether 878.38
    1,2-dichlorobenzene 759.56
    ethyl lactate 168.31
    propylene carbonate 836.71
    n-methylformamide 466.12
    2-pentanol 231.95
    n-pentane 114.98
    1-propoxy-2-propanol 560.46
    1-methoxy-2-propyl acetate 867.56
    2-(2-methoxypropoxy) propanol 343.39
    mesitylene 228.49
    ε-caprolactone 1227.41
    p-cymene 221.21
    epichlorohydrin 2349.4
    1,1,1-trichloroethane 1377.22
    2-aminoethanol 93.33
    morpholine-4-carbaldehyde 1204.62
    sulfolane 1145.18
    2,2,4-trimethylpentane 48.01
    2-methyltetrahydrofuran 1351.85
    n-hexyl acetate 645.73
    isooctane 39.17
    2-(2-butoxyethoxy)ethanol 546.04
    sec-butyl acetate 535.0
    tert-butyl acetate 600.87
    decalin 118.53
    glycerin 78.52
    diglyme 1342.28
    acrylic acid 235.28
    isopropyl myristate 237.08
    n-butyric acid 599.06
    acetyl acetate 695.8
    di(2-ethylhexyl) phthalate 174.85
    ethyl propionate 681.72
    nitromethane 930.53
    1,2-diethoxyethane 1751.75
    benzonitrile 705.34
    trioctyl phosphate 120.29
    1-bromopropane 1413.31
    gamma-valerolactone 1865.93
    n-decanol 118.78
    triethyl phosphate 231.22
    4-methyl-2-pentanol 160.52
    propionitrile 576.46
    vinylene carbonate 804.27
    1,1,2-trichlorotrifluoroethane 636.11
    DMS 626.51
    cumene 237.9
    2-octanol 114.15
    2-hexanone 896.27
    octyl acetate 296.72
    limonene 341.96
    1,2-dimethoxyethane 1645.13
    ethyl orthosilicate 236.21
    tributyl phosphate 197.03
    diacetone alcohol 429.86
    N,N-dimethylaniline 404.0
    acrylonitrile 736.05
    aniline 672.32
    1,3-propanediol 220.7
    bromobenzene 1309.25
    dibromomethane 2236.97
    1,1,2,2-tetrachloroethane 2677.64
    2-methyl-cyclohexyl acetate 454.87
    tetrabutyl urea 253.04
    diisobutyl methanol 204.41
    2-phenylethanol 486.51
    styrene 655.56
    dioctyl adipate 312.11
    dimethyl sulfate 414.27
    ethyl butyrate 844.1
    methyl lactate 167.3
    butyl lactate 252.05
    diethyl carbonate 507.06
    propanediol butyl ether 203.49
    triethyl orthoformate 456.0
    p-tert-butyltoluene 193.57
    methyl 4-tert-butylbenzoate 284.8
    morpholine 1966.31
    tert-butylamine 231.68
    n-dodecanol 102.25
    dimethoxymethane 1502.19
    ethylene carbonate 747.56
    cyrene 240.78
    2-ethoxyethyl acetate 786.34
    2-ethylhexyl acetate 1057.6
    1,2,4-trichlorobenzene 787.17
    4-methylpyridine 1850.48
    dibutyl ether 691.55
    2,6-dimethyl-4-heptanol 204.41
    DEF 1349.67
    dimethyl isosorbide 659.79
    tetrachloroethylene 1614.59
    eugenol 302.03
    triacetin 410.38
    span 80 257.88
    1,4-butanediol 91.24
    1,1-dichloroethane 1868.07
    2-methyl-1-pentanol 375.59
    methyl formate 424.31
    2-methyl-1-butanol 352.96
    n-decane 58.98
    butyronitrile 711.3
    3,7-dimethyl-1-octanol 205.73
    1-chlorooctane 254.73
    1-chlorotetradecane 102.22
    n-nonane 58.82
    undecane 44.99
    tert-butylcyclohexane 95.73
    cyclooctane 78.42
    cyclopentanol 276.98
    tetrahydropyran 2120.56
    tert-amyl methyl ether 503.07
    2,5,8-trioxanonane 708.96
    1-hexene 752.94
    2-isopropoxyethanol 353.96
    2,2,2-trifluoroethanol 85.75
    methyl butyrate 972.96

    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