6-tert-Butylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68141-13-9

    Molecular formula
    C13H15N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 58.67%
    Animal 57.44%
    Leathery 57.1%
    Green 44.77%
    Woody 41.49%
    Vetiver 39.47%
    Tobacco 35.9%
    Nutty 32.26%
    Leafy 30.8%
    Phenolic 30.12%

     

    Flavor
    Woody 35.46%
    Musty 33.57%
    Camphor 30.33%
    Herbal 28.24%
    Leather 28.16%
    Earthy 27.19%
    Phenolic 23.77%
    Green 22.9%
    Earth 22.07%
    Pepper 21.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.66 (weak acid)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    285°C

    Flash point

    • 131.22 ˚C est.

  • Synonyms

    • 6-tert-Butylquinoline
    • Quinoline, 6-(1,1-dimethylethyl)-
    • 6-(1,1-Dimethylethyl)quinoline
    • EINECS 268-835-5
    • DTXSID9071187
    • JHAWWJQGHKGXHA-UHFFFAOYSA-
    • RefChem:105272
    • DTXCID0045622
    • 268-835-5
    • InChI=1/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
    • 68141-13-9
    • 6-(tert-butyl)quinoline
    • MFCD02683023
    • Quinoline,6-(1,1-dimethylethyl)-
    • 6-tert-butyl quinoline
    • SCHEMBL264293
    • SCHEMBL2302785
    • SBB090318
    • AKOS006343004
    • SY053613
    • DB-058110
    • B2985
    • NS00036448
    • EN300-121062
    • T71218
    • Z1201621846
    • 68141-13-9

  • Applications

    6-tert-Butylquinoline (CAS 68141-13-9) is used primarily as an organic synthesis intermediate, serving as a building block in pharmaceutical and agrochemical development; it also functions as a precursor for specialty dyes and pigments, and as a starting point in polymers and coatings, with applications in research and development for the design of heterocyclic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.55
    methanol 75.75
    isopropanol 81.83
    water 0.16
    ethyl acetate 432.02
    n-propanol 139.95
    acetone 401.54
    n-butanol 141.69
    acetonitrile 209.74
    DMF 637.7
    toluene 293.4
    isobutanol 112.95
    1,4-dioxane 566.95
    methyl acetate 408.71
    THF 1143.68
    2-butanone 427.65
    n-pentanol 97.56
    sec-butanol 89.52
    n-hexane 41.74
    ethylene glycol 15.69
    NMP 458.55
    cyclohexane 52.64
    DMSO 205.35
    n-butyl acetate 434.77
    n-octanol 67.32
    chloroform 651.58
    n-propyl acetate 230.43
    acetic acid 99.21
    dichloromethane 735.74
    cyclohexanone 574.96
    propylene glycol 27.71
    isopropyl acetate 240.3
    DMAc 504.75
    2-ethoxyethanol 144.63
    isopentanol 128.87
    n-heptane 43.31
    ethyl formate 209.78
    1,2-dichloroethane 613.37
    n-hexanol 224.01
    2-methoxyethanol 252.37
    isobutyl acetate 193.76
    tetrachloromethane 72.66
    n-pentyl acetate 160.5
    transcutol 620.14
    n-heptanol 79.32
    ethylbenzene 146.12
    MIBK 193.43
    2-propoxyethanol 346.56
    tert-butanol 123.6
    MTBE 254.44
    2-butoxyethanol 150.61
    propionic acid 127.37
    o-xylene 147.98
    formic acid 23.29
    diethyl ether 350.15
    m-xylene 188.44
    p-xylene 190.9
    chlorobenzene 326.84
    dimethyl carbonate 189.44
    n-octane 18.08
    formamide 57.19
    cyclopentanone 824.49
    2-pentanone 360.36
    anisole 249.94
    cyclopentyl methyl ether 469.22
    gamma-butyrolactone 753.0
    1-methoxy-2-propanol 196.09
    pyridine 589.12
    3-pentanone 353.76
    furfural 497.21
    n-dodecane 12.29
    diethylene glycol 141.24
    diisopropyl ether 106.2
    tert-amyl alcohol 114.43
    acetylacetone 374.84
    n-hexadecane 14.46
    acetophenone 211.49
    methyl propionate 399.71
    isopentyl acetate 378.56
    trichloroethylene 957.78
    n-nonanol 65.34
    cyclohexanol 130.64
    benzyl alcohol 134.29
    2-ethylhexanol 156.28
    isooctanol 70.66
    dipropyl ether 283.56
    1,2-dichlorobenzene 252.62
    ethyl lactate 84.09
    propylene carbonate 382.02
    n-methylformamide 183.73
    2-pentanol 91.55
    n-pentane 30.28
    1-propoxy-2-propanol 239.63
    1-methoxy-2-propyl acetate 352.82
    2-(2-methoxypropoxy) propanol 148.39
    mesitylene 102.54
    ε-caprolactone 460.23
    p-cymene 104.17
    epichlorohydrin 922.78
    1,1,1-trichloroethane 396.76
    2-aminoethanol 44.38
    morpholine-4-carbaldehyde 544.74
    sulfolane 526.73
    2,2,4-trimethylpentane 20.91
    2-methyltetrahydrofuran 656.34
    n-hexyl acetate 210.8
    isooctane 15.37
    2-(2-butoxyethoxy)ethanol 215.25
    sec-butyl acetate 172.28
    tert-butyl acetate 242.72
    decalin 37.35
    glycerin 39.37
    diglyme 440.21
    acrylic acid 110.31
    isopropyl myristate 93.79
    n-butyric acid 199.08
    acetyl acetate 220.33
    di(2-ethylhexyl) phthalate 81.48
    ethyl propionate 225.57
    nitromethane 295.69
    1,2-diethoxyethane 342.39
    benzonitrile 207.37
    trioctyl phosphate 59.58
    1-bromopropane 356.62
    gamma-valerolactone 795.34
    n-decanol 52.92
    triethyl phosphate 108.75
    4-methyl-2-pentanol 71.48
    propionitrile 228.26
    vinylene carbonate 375.91
    1,1,2-trichlorotrifluoroethane 260.81
    DMS 226.32
    cumene 101.28
    2-octanol 51.85
    2-hexanone 226.44
    octyl acetate 117.58
    limonene 146.81
    1,2-dimethoxyethane 380.32
    ethyl orthosilicate 110.32
    tributyl phosphate 82.06
    diacetone alcohol 184.7
    N,N-dimethylaniline 171.79
    acrylonitrile 269.56
    aniline 238.05
    1,3-propanediol 77.1
    bromobenzene 366.18
    dibromomethane 466.72
    1,1,2,2-tetrachloroethane 635.48
    2-methyl-cyclohexyl acetate 202.45
    tetrabutyl urea 102.02
    diisobutyl methanol 82.86
    2-phenylethanol 189.62
    styrene 166.54
    dioctyl adipate 125.49
    dimethyl sulfate 209.07
    ethyl butyrate 268.96
    methyl lactate 98.88
    butyl lactate 104.82
    diethyl carbonate 178.07
    propanediol butyl ether 90.84
    triethyl orthoformate 172.25
    p-tert-butyltoluene 102.5
    methyl 4-tert-butylbenzoate 159.69
    morpholine 634.97
    tert-butylamine 91.29
    n-dodecanol 44.18
    dimethoxymethane 460.38
    ethylene carbonate 308.25
    cyrene 154.65
    2-ethoxyethyl acetate 252.59
    2-ethylhexyl acetate 321.1
    1,2,4-trichlorobenzene 281.42
    4-methylpyridine 562.42
    dibutyl ether 165.62
    2,6-dimethyl-4-heptanol 82.86
    DEF 410.19
    dimethyl isosorbide 348.01
    tetrachloroethylene 373.7
    eugenol 151.43
    triacetin 178.34
    span 80 127.45
    1,4-butanediol 29.53
    1,1-dichloroethane 471.1
    2-methyl-1-pentanol 109.29
    methyl formate 175.97
    2-methyl-1-butanol 126.32
    n-decane 20.51
    butyronitrile 228.04
    3,7-dimethyl-1-octanol 82.97
    1-chlorooctane 85.92
    1-chlorotetradecane 37.01
    n-nonane 20.2
    undecane 15.33
    tert-butylcyclohexane 35.56
    cyclooctane 22.76
    cyclopentanol 142.53
    tetrahydropyran 622.72
    tert-amyl methyl ether 199.79
    2,5,8-trioxanonane 262.14
    1-hexene 154.05
    2-isopropoxyethanol 123.88
    2,2,2-trifluoroethanol 43.38
    methyl butyrate 277.69

    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