2-tert-Butylquinoline

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  • Identifiers

    CAS number
    22493-94-3

    Molecular formula
    C13H15N

    SMILES
    CC(C)(C)C1=NC2=CC=CC=C2C=C1

  • Odor profile

    Fragrance
    Earthy 56.27%
    Animal 52.9%
    Leathery 51.36%
    Green 48.49%
    Woody 40.14%
    Vetiver 38.51%
    Leafy 34.59%
    Tobacco 31.91%
    Herbal 29.77%
    Nutty 29.57%

     

    Flavor
    Green 42.11%
    Earthy 34.3%
    Herbal 33.99%
    Musty 33.95%
    Pepper 26.9%
    Woody 25.9%
    Earth 24.81%
    Camphor 24.32%
    Leather 23.03%
    Green pepper 22.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.11 (weak acid)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 119.79 ˚C est.

  • Synonyms

    • 2-tert-Butylquinoline
    • 22493-94-3
    • Quinoline, 2-tert-butyl-
    • DTXSID70344625
    • 2-t-butylquinoline
    • 2-tert-Butylquinoline #
    • SCHEMBL762342
    • DTXCID30295700
    • AKOS006321346
    • DB-116903
    • DB-310475
    • NS00052889

  • Applications

    2-tert-Butylquinoline (CAS 22493-94-3) is used primarily as an intermediate in organic synthesis, serving as a building block for quinoline-based compounds in pharmaceutical research and agrochemical development; it is commonly employed as a precursor in the manufacture of dyes and pigments via heterocyclic chemistry; it also serves as a starting material in polymer and materials chemistry for functionalized heterocycles; and it is used as a precursor or ligand framework in catalytic systems for research and industrial catalysis; these applications are typical in fine and specialty chemicals, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.53
    methanol 59.22
    isopropanol 80.03
    water 0.13
    ethyl acetate 327.43
    n-propanol 108.34
    acetone 301.27
    n-butanol 139.6
    acetonitrile 161.01
    DMF 397.49
    toluene 343.74
    isobutanol 110.5
    1,4-dioxane 485.61
    methyl acetate 292.52
    THF 916.31
    2-butanone 365.58
    n-pentanol 130.68
    sec-butanol 114.84
    n-hexane 147.1
    ethylene glycol 9.46
    NMP 364.94
    cyclohexane 121.74
    DMSO 142.2
    n-butyl acetate 635.22
    n-octanol 137.09
    chloroform 760.15
    n-propyl acetate 293.52
    acetic acid 98.38
    dichloromethane 738.81
    cyclohexanone 559.88
    propylene glycol 20.78
    isopropyl acetate 232.14
    DMAc 377.72
    2-ethoxyethanol 145.21
    isopentanol 156.7
    n-heptane 136.23
    ethyl formate 201.48
    1,2-dichloroethane 497.29
    n-hexanol 291.12
    2-methoxyethanol 165.53
    isobutyl acetate 275.44
    tetrachloromethane 99.28
    n-pentyl acetate 236.97
    transcutol 590.15
    n-heptanol 146.25
    ethylbenzene 273.25
    MIBK 231.81
    2-propoxyethanol 296.78
    tert-butanol 127.76
    MTBE 266.61
    2-butoxyethanol 196.56
    propionic acid 97.11
    o-xylene 212.08
    formic acid 16.25
    diethyl ether 345.42
    m-xylene 237.53
    p-xylene 354.27
    chlorobenzene 330.54
    dimethyl carbonate 139.84
    n-octane 57.21
    formamide 36.0
    cyclopentanone 608.72
    2-pentanone 325.55
    anisole 345.29
    cyclopentyl methyl ether 417.47
    gamma-butyrolactone 562.2
    1-methoxy-2-propanol 141.87
    pyridine 550.64
    3-pentanone 293.42
    furfural 452.03
    n-dodecane 34.31
    diethylene glycol 105.78
    diisopropyl ether 140.5
    tert-amyl alcohol 152.55
    acetylacetone 321.91
    n-hexadecane 38.68
    acetophenone 293.58
    methyl propionate 261.66
    isopentyl acetate 561.95
    trichloroethylene 870.5
    n-nonanol 127.55
    cyclohexanol 152.91
    benzyl alcohol 186.57
    2-ethylhexanol 264.95
    isooctanol 125.03
    dipropyl ether 428.27
    1,2-dichlorobenzene 273.86
    ethyl lactate 97.71
    propylene carbonate 380.03
    n-methylformamide 104.92
    2-pentanol 113.49
    n-pentane 73.68
    1-propoxy-2-propanol 264.05
    1-methoxy-2-propyl acetate 348.05
    2-(2-methoxypropoxy) propanol 204.54
    mesitylene 150.06
    ε-caprolactone 447.55
    p-cymene 196.35
    epichlorohydrin 630.58
    1,1,1-trichloroethane 396.55
    2-aminoethanol 28.71
    morpholine-4-carbaldehyde 448.34
    sulfolane 409.25
    2,2,4-trimethylpentane 44.79
    2-methyltetrahydrofuran 562.09
    n-hexyl acetate 318.04
    isooctane 33.43
    2-(2-butoxyethoxy)ethanol 261.11
    sec-butyl acetate 234.78
    tert-butyl acetate 252.8
    decalin 88.4
    glycerin 26.69
    diglyme 496.58
    acrylic acid 82.76
    isopropyl myristate 162.9
    n-butyric acid 197.85
    acetyl acetate 198.51
    di(2-ethylhexyl) phthalate 126.39
    ethyl propionate 254.14
    nitromethane 197.54
    1,2-diethoxyethane 410.19
    benzonitrile 287.59
    trioctyl phosphate 95.59
    1-bromopropane 378.49
    gamma-valerolactone 626.39
    n-decanol 103.44
    triethyl phosphate 153.79
    4-methyl-2-pentanol 94.74
    propionitrile 185.75
    vinylene carbonate 354.65
    1,1,2-trichlorotrifluoroethane 217.6
    DMS 235.82
    cumene 187.42
    2-octanol 104.18
    2-hexanone 331.96
    octyl acetate 190.1
    limonene 249.04
    1,2-dimethoxyethane 450.2
    ethyl orthosilicate 158.96
    tributyl phosphate 128.43
    diacetone alcohol 190.47
    N,N-dimethylaniline 266.21
    acrylonitrile 193.52
    aniline 223.32
    1,3-propanediol 60.27
    bromobenzene 397.85
    dibromomethane 534.85
    1,1,2,2-tetrachloroethane 599.94
    2-methyl-cyclohexyl acetate 302.95
    tetrabutyl urea 158.92
    diisobutyl methanol 141.53
    2-phenylethanol 250.91
    styrene 298.2
    dioctyl adipate 204.53
    dimethyl sulfate 145.89
    ethyl butyrate 388.33
    methyl lactate 74.79
    butyl lactate 151.94
    diethyl carbonate 251.01
    propanediol butyl ether 129.7
    triethyl orthoformate 261.45
    p-tert-butyltoluene 181.76
    methyl 4-tert-butylbenzoate 230.82
    morpholine 461.93
    tert-butylamine 115.6
    n-dodecanol 87.84
    dimethoxymethane 300.28
    ethylene carbonate 292.88
    cyrene 185.16
    2-ethoxyethyl acetate 283.15
    2-ethylhexyl acetate 494.89
    1,2,4-trichlorobenzene 295.79
    4-methylpyridine 590.27
    dibutyl ether 313.79
    2,6-dimethyl-4-heptanol 141.53
    DEF 350.33
    dimethyl isosorbide 399.11
    tetrachloroethylene 360.34
    eugenol 204.73
    triacetin 229.58
    span 80 180.52
    1,4-butanediol 31.97
    1,1-dichloroethane 431.86
    2-methyl-1-pentanol 163.73
    methyl formate 115.86
    2-methyl-1-butanol 152.15
    n-decane 58.39
    butyronitrile 243.85
    3,7-dimethyl-1-octanol 152.44
    1-chlorooctane 175.79
    1-chlorotetradecane 77.73
    n-nonane 62.11
    undecane 42.69
    tert-butylcyclohexane 85.24
    cyclooctane 55.62
    cyclopentanol 142.38
    tetrahydropyran 578.39
    tert-amyl methyl ether 245.37
    2,5,8-trioxanonane 318.94
    1-hexene 344.07
    2-isopropoxyethanol 138.52
    2,2,2-trifluoroethanol 34.99
    methyl butyrate 354.33

    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