6(Or 8)-(sec-butyl)quinoline

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  • Identifiers

    CAS number
    68141-26-4

    Molecular formula
    C13H15N

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 77.53%
    Earthy 72.82%
    Animal 57.88%
    Leathery 52.06%
    Woody 41.26%
    Nutty 39.81%
    Herbal 38.13%
    Leafy 38.12%
    Tobacco 34.35%
    Vetiver 33.32%

     

    Flavor
    Herbal 35.87%
    Woody 32.7%
    Spice 27.02%
    Green 26.35%
    Musty 24.37%
    Pepper 22.74%
    Wood 22.55%
    Earthy 21.84%
    Leather 21.24%
    Green pepper 21.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.35 (neutral)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 132.26 ˚C est.

  • Synonyms

    • 6-Isobutylquinoline
    • 68141-26-4
    • 6-(2-methylpropyl)quinoline
    • Quinoline, 6-(2-methylpropyl)-
    • 6-isobutyl quinoline
    • EINECS 268-849-1
    • 6(or 8)-Isobutylquinoline
    • YM8LJ269HU
    • 6(Or 8)-(sec-butyl)quinoline
    • DTXSID6052401
    • EINECS 269-204-7
    • 68198-80-1
    • Quinoline, 6(or 8)-(2-methylpropyl)-
    • UNII-YM8LJ269HU
    • 5UHE593VEK
    • SCHEMBL113636
    • DTXCID3030973
    • YKGUUBIPVHRERN-UHFFFAOYSA-N
    • AKOS006275217
    • DB-055110
    • NS00012689
    • 268-849-1
    • 269-204-7

  • Applications

    6(Or 8)-(sec-butyl)quinoline (CAS 68141-26-4) is a versatile organic-chemistry intermediate, primarily used in pharmaceutical and agrochemical synthesis as a building block for subsequent functionalization; it may also serve as a precursor for dyes and pigments used in coatings and inks; it can function as an odorant or fixative component in perfumery and cosmetics; it may act as a specialty solvent or co-solvent in organic synthesis; and it is being explored as a building block for advanced materials in electronics and polymer-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 583.24
    methanol 449.54
    isopropanol 310.4
    water 0.06
    ethyl acetate 1318.73
    n-propanol 539.17
    acetone 1890.64
    n-butanol 564.93
    acetonitrile 761.22
    DMF 1848.39
    toluene 1095.6
    isobutanol 426.9
    1,4-dioxane 1839.37
    methyl acetate 1088.31
    THF 3094.24
    2-butanone 1513.62
    n-pentanol 434.83
    sec-butanol 338.69
    n-hexane 179.2
    ethylene glycol 66.22
    NMP 1386.35
    cyclohexane 161.4
    DMSO 1308.74
    n-butyl acetate 1348.82
    n-octanol 136.87
    chloroform 2191.56
    n-propyl acetate 656.63
    acetic acid 393.38
    dichloromethane 3029.4
    cyclohexanone 1786.71
    propylene glycol 99.18
    isopropyl acetate 645.91
    DMAc 1119.09
    2-ethoxyethanol 609.04
    isopentanol 517.02
    n-heptane 73.11
    ethyl formate 573.2
    1,2-dichloroethane 2703.27
    n-hexanol 675.36
    2-methoxyethanol 1049.51
    isobutyl acetate 471.55
    tetrachloromethane 246.42
    n-pentyl acetate 421.97
    transcutol 2947.67
    n-heptanol 159.34
    ethylbenzene 384.21
    MIBK 620.84
    2-propoxyethanol 1203.4
    tert-butanol 377.88
    MTBE 907.25
    2-butoxyethanol 379.21
    propionic acid 384.64
    o-xylene 399.03
    formic acid 77.24
    diethyl ether 1537.18
    m-xylene 547.93
    p-xylene 430.48
    chlorobenzene 1048.63
    dimethyl carbonate 429.08
    n-octane 24.24
    formamide 173.53
    cyclopentanone 2231.49
    2-pentanone 1416.43
    anisole 700.25
    cyclopentyl methyl ether 1596.41
    gamma-butyrolactone 1879.13
    1-methoxy-2-propanol 688.29
    pyridine 1810.85
    3-pentanone 1135.02
    furfural 1262.14
    n-dodecane 14.09
    diethylene glycol 525.93
    diisopropyl ether 333.72
    tert-amyl alcohol 378.88
    acetylacetone 1176.6
    n-hexadecane 17.69
    acetophenone 522.01
    methyl propionate 1154.2
    isopentyl acetate 1007.69
    trichloroethylene 3795.88
    n-nonanol 124.42
    cyclohexanol 490.41
    benzyl alcohol 431.79
    2-ethylhexanol 403.02
    isooctanol 130.69
    dipropyl ether 750.02
    1,2-dichlorobenzene 673.69
    ethyl lactate 174.51
    propylene carbonate 787.02
    n-methylformamide 653.11
    2-pentanol 354.74
    n-pentane 108.55
    1-propoxy-2-propanol 715.47
    1-methoxy-2-propyl acetate 940.15
    2-(2-methoxypropoxy) propanol 338.59
    mesitylene 240.01
    ε-caprolactone 1291.8
    p-cymene 188.69
    epichlorohydrin 2957.63
    1,1,1-trichloroethane 1377.57
    2-aminoethanol 182.38
    morpholine-4-carbaldehyde 1546.7
    sulfolane 1671.08
    2,2,4-trimethylpentane 52.11
    2-methyltetrahydrofuran 2169.68
    n-hexyl acetate 566.7
    isooctane 40.3
    2-(2-butoxyethoxy)ethanol 600.92
    sec-butyl acetate 424.79
    tert-butyl acetate 626.98
    decalin 87.89
    glycerin 132.91
    diglyme 1229.06
    acrylic acid 311.52
    isopropyl myristate 172.53
    n-butyric acid 622.95
    acetyl acetate 524.77
    di(2-ethylhexyl) phthalate 155.81
    ethyl propionate 556.74
    nitromethane 938.31
    1,2-diethoxyethane 1395.14
    benzonitrile 599.41
    trioctyl phosphate 107.12
    1-bromopropane 1344.23
    gamma-valerolactone 2311.57
    n-decanol 92.15
    triethyl phosphate 188.88
    4-methyl-2-pentanol 207.4
    propionitrile 615.78
    vinylene carbonate 681.81
    1,1,2-trichlorotrifluoroethane 886.19
    DMS 544.28
    cumene 202.69
    2-octanol 97.93
    2-hexanone 823.22
    octyl acetate 232.47
    limonene 312.79
    1,2-dimethoxyethane 1296.3
    ethyl orthosilicate 208.39
    tributyl phosphate 170.56
    diacetone alcohol 547.59
    N,N-dimethylaniline 378.66
    acrylonitrile 719.97
    aniline 857.25
    1,3-propanediol 327.34
    bromobenzene 1229.72
    dibromomethane 1881.65
    1,1,2,2-tetrachloroethane 2353.0
    2-methyl-cyclohexyl acetate 395.85
    tetrabutyl urea 206.11
    diisobutyl methanol 169.26
    2-phenylethanol 560.61
    styrene 559.57
    dioctyl adipate 244.59
    dimethyl sulfate 504.56
    ethyl butyrate 591.74
    methyl lactate 221.01
    butyl lactate 262.29
    diethyl carbonate 332.51
    propanediol butyl ether 261.91
    triethyl orthoformate 343.68
    p-tert-butyltoluene 176.71
    methyl 4-tert-butylbenzoate 281.63
    morpholine 2196.2
    tert-butylamine 273.37
    n-dodecanol 73.96
    dimethoxymethane 1616.72
    ethylene carbonate 617.65
    cyrene 295.83
    2-ethoxyethyl acetate 754.17
    2-ethylhexyl acetate 848.08
    1,2,4-trichlorobenzene 797.99
    4-methylpyridine 1870.37
    dibutyl ether 464.38
    2,6-dimethyl-4-heptanol 169.26
    DEF 1386.19
    dimethyl isosorbide 715.6
    tetrachloroethylene 1378.07
    eugenol 296.83
    triacetin 347.96
    span 80 254.69
    1,4-butanediol 137.37
    1,1-dichloroethane 1732.11
    2-methyl-1-pentanol 446.79
    methyl formate 546.87
    2-methyl-1-butanol 508.62
    n-decane 27.03
    butyronitrile 710.67
    3,7-dimethyl-1-octanol 185.84
    1-chlorooctane 174.21
    1-chlorotetradecane 56.06
    n-nonane 27.92
    undecane 19.13
    tert-butylcyclohexane 78.65
    cyclooctane 60.63
    cyclopentanol 471.34
    tetrahydropyran 2108.84
    tert-amyl methyl ether 655.03
    2,5,8-trioxanonane 627.47
    1-hexene 639.82
    2-isopropoxyethanol 432.98
    2,2,2-trifluoroethanol 103.24
    methyl butyrate 724.03

    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