1-Isobutyl-1,2,3,4-tetrahydroquinoline

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  • Identifiers

    CAS number
    6613-32-7

    Molecular formula
    C13H19N

    SMILES
    CC(C)CN1CCCC2=CC=CC=C21

  • Odor profile

    Fragrance
    Animal 45.33%
    Earthy 34.6%
    Woody 33.89%
    Herbal 28.47%
    Leathery 27.4%
    Sweet 26.53%
    Burnt 25.73%
    Fishy 25.64%
    Mint 25.61%
    Musty 25.1%

     

    Flavor
    Herbal 39.69%
    Green 32.63%
    Woody 28.58%
    Spice 27.54%
    Herb 27.41%
    Earthy 25.86%
    Wood 24.57%
    Fruity 23.23%
    Musty 22.69%
    Pepper 22.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.39 (neutral)

    Molecular weight
    189.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Flash point

    • 108.99 ˚C est.

  • Synonyms

    • 1-isobutyl-1,2,3,4-tetrahydroquinoline
    • 6613-32-7
    • 1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
    • MFCD03787186
    • 1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
    • SCHEMBL13416744
    • AKOS005092147
    • 4W-0249

  • Applications

    1-Isobutyl-1,2,3,4-tetrahydroquinoline is primarily used as a synthetic intermediate and building block in chemical manufacture. In pharmaceuticals, it provides a scaffold for heterocyclic drug candidates and serves as a precursor to tetrahydroquinoline derivatives. In crop protection (agrochemical) applications, it is evaluated as a starting material for plant-protection agents and related derivatives. In fragrance and cosmetics, it may be used as an odor-related intermediate or fragrance-building block, and in broader industrial manufacturing it can function as a tertiary amine base for further functionalization in polymer, coating, or specialty-chemical syntheses, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.41
    methanol 208.13
    isopropanol 228.56
    water 0.2
    ethyl acetate 604.71
    n-propanol 291.11
    acetone 714.24
    n-butanol 350.15
    acetonitrile 421.83
    DMF 513.37
    toluene 559.2
    isobutanol 273.07
    1,4-dioxane 1192.48
    methyl acetate 573.38
    THF 1448.2
    2-butanone 639.68
    n-pentanol 298.74
    sec-butanol 260.1
    n-hexane 170.94
    ethylene glycol 43.06
    NMP 627.32
    cyclohexane 341.39
    DMSO 514.46
    n-butyl acetate 1190.69
    n-octanol 271.47
    chloroform 2668.43
    n-propyl acetate 502.27
    acetic acid 376.54
    dichloromethane 2653.64
    cyclohexanone 1087.59
    propylene glycol 71.16
    isopropyl acetate 387.03
    DMAc 479.69
    2-ethoxyethanol 316.41
    isopentanol 353.45
    n-heptane 200.05
    ethyl formate 487.85
    1,2-dichloroethane 1385.19
    n-hexanol 602.2
    2-methoxyethanol 366.24
    isobutyl acetate 407.05
    tetrachloromethane 462.18
    n-pentyl acetate 460.25
    transcutol 1282.6
    n-heptanol 249.14
    ethylbenzene 272.92
    MIBK 352.43
    2-propoxyethanol 639.56
    tert-butanol 291.11
    MTBE 493.17
    2-butoxyethanol 348.6
    propionic acid 288.16
    o-xylene 316.23
    formic acid 61.41
    diethyl ether 585.82
    m-xylene 343.83
    p-xylene 360.74
    chlorobenzene 832.73
    dimethyl carbonate 207.34
    n-octane 78.15
    formamide 90.41
    cyclopentanone 1097.83
    2-pentanone 545.75
    anisole 401.38
    cyclopentyl methyl ether 663.83
    gamma-butyrolactone 1096.95
    1-methoxy-2-propanol 269.84
    pyridine 950.88
    3-pentanone 482.87
    furfural 865.87
    n-dodecane 62.17
    diethylene glycol 307.69
    diisopropyl ether 225.56
    tert-amyl alcohol 277.37
    acetylacetone 548.35
    n-hexadecane 71.13
    acetophenone 395.25
    methyl propionate 412.72
    isopentyl acetate 879.02
    trichloroethylene 2359.42
    n-nonanol 237.31
    cyclohexanol 456.63
    benzyl alcohol 293.48
    2-ethylhexanol 452.26
    isooctanol 204.0
    dipropyl ether 640.56
    1,2-dichlorobenzene 674.65
    ethyl lactate 181.89
    propylene carbonate 776.93
    n-methylformamide 237.57
    2-pentanol 241.8
    n-pentane 146.82
    1-propoxy-2-propanol 504.76
    1-methoxy-2-propyl acetate 600.79
    2-(2-methoxypropoxy) propanol 345.13
    mesitylene 232.66
    ε-caprolactone 841.4
    p-cymene 280.34
    epichlorohydrin 1253.36
    1,1,1-trichloroethane 1180.19
    2-aminoethanol 90.92
    morpholine-4-carbaldehyde 709.17
    sulfolane 976.31
    2,2,4-trimethylpentane 83.27
    2-methyltetrahydrofuran 1072.56
    n-hexyl acetate 610.18
    isooctane 63.52
    2-(2-butoxyethoxy)ethanol 453.26
    sec-butyl acetate 330.73
    tert-butyl acetate 414.04
    decalin 135.72
    glycerin 94.32
    diglyme 882.53
    acrylic acid 248.46
    isopropyl myristate 268.04
    n-butyric acid 519.13
    acetyl acetate 427.46
    di(2-ethylhexyl) phthalate 242.1
    ethyl propionate 364.59
    nitromethane 592.61
    1,2-diethoxyethane 818.58
    benzonitrile 560.13
    trioctyl phosphate 182.98
    1-bromopropane 844.7
    gamma-valerolactone 1049.98
    n-decanol 191.53
    triethyl phosphate 255.54
    4-methyl-2-pentanol 176.32
    propionitrile 408.94
    vinylene carbonate 683.57
    1,1,2-trichlorotrifluoroethane 603.63
    DMS 401.31
    cumene 201.67
    2-octanol 175.43
    2-hexanone 508.91
    octyl acetate 330.95
    limonene 430.67
    1,2-dimethoxyethane 721.75
    ethyl orthosilicate 253.29
    tributyl phosphate 257.61
    diacetone alcohol 312.11
    N,N-dimethylaniline 272.78
    acrylonitrile 405.07
    aniline 392.57
    1,3-propanediol 180.8
    bromobenzene 1019.22
    dibromomethane 1705.0
    1,1,2,2-tetrachloroethane 1633.27
    2-methyl-cyclohexyl acetate 481.31
    tetrabutyl urea 293.71
    diisobutyl methanol 235.69
    2-phenylethanol 402.9
    styrene 356.91
    dioctyl adipate 345.33
    dimethyl sulfate 266.28
    ethyl butyrate 628.34
    methyl lactate 152.2
    butyl lactate 277.54
    diethyl carbonate 423.02
    propanediol butyl ether 279.76
    triethyl orthoformate 418.44
    p-tert-butyltoluene 260.91
    methyl 4-tert-butylbenzoate 342.18
    morpholine 966.92
    tert-butylamine 239.32
    n-dodecanol 160.38
    dimethoxymethane 433.73
    ethylene carbonate 643.75
    cyrene 312.97
    2-ethoxyethyl acetate 563.17
    2-ethylhexyl acetate 784.12
    1,2,4-trichlorobenzene 746.75
    4-methylpyridine 864.63
    dibutyl ether 538.69
    2,6-dimethyl-4-heptanol 235.69
    DEF 524.46
    dimethyl isosorbide 638.98
    tetrachloroethylene 1077.04
    eugenol 306.58
    triacetin 453.7
    span 80 343.38
    1,4-butanediol 111.98
    1,1-dichloroethane 1141.93
    2-methyl-1-pentanol 313.95
    methyl formate 294.34
    2-methyl-1-butanol 341.45
    n-decane 100.95
    butyronitrile 554.04
    3,7-dimethyl-1-octanol 276.2
    1-chlorooctane 341.13
    1-chlorotetradecane 143.04
    n-nonane 107.17
    undecane 76.19
    tert-butylcyclohexane 117.03
    cyclooctane 133.39
    cyclopentanol 381.51
    tetrahydropyran 1212.46
    tert-amyl methyl ether 362.58
    2,5,8-trioxanonane 570.68
    1-hexene 430.94
    2-isopropoxyethanol 268.17
    2,2,2-trifluoroethanol 130.42
    methyl butyrate 517.66

    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