2-Isobutylquinoline

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  • Identifiers

    CAS number
    93-19-6

    Molecular formula
    C13H15N

    SMILES
    CC(C)CC1=NC2=CC=CC=C2C=C1

  • Odor profile

    Fragrance
    Animal 61.49%
    Earthy 55.49%
    Leathery 52.43%
    Green 48.51%
    Woody 42.45%
    Herbal 40.78%
    Tobacco 35.84%
    Burnt 33.72%
    Vetiver 33.7%
    Leafy 30.47%

     

    Flavor
    Green 57.01%
    Herbal 45.76%
    Earthy 31.51%
    Pepper 30.97%
    Musty 27.33%
    Spice 25.04%
    Pea 23.5%
    Green pepper 22.86%
    Syrup 22.7%
    Tomato leaf 22.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.56 (neutral)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 124.67 ˚C est.

  • Synonyms

    • 2-Isobutylquinoline
    • 93-19-6
    • 2-(2-Methylpropyl)quinoline
    • Quinoline, 2-(2-methylpropyl)-
    • 2-Isobutyl quinoline
    • alpha-Isobutylquinoline
    • QUINOLINE, 2-ISOBUTYL-
    • BRN 0117444
    • EINECS 202-227-2
    • AI3-36193
    • .alpha.-Isobutylquinoline
    • 1865ZV931R
    • DTXSID5052622
    • UNII-1865ZV931R
    • 5-20-07-00484 (Beilstein Handbook Reference)
    • QUINOLINE,2-(2-METHYLPROPYL)-
    • isobutylchinolin
    • SCHEMBL117318
    • DTXCID9031195
    • AKOS006277040
    • DB-021244
    • NS00012688
    • G86020
    • Q27894647
    • 202-227-2

  • Applications

    2-Isobutylquinoline, CAS 93-19-6, is primarily used as a building block in organic synthesis, serving as an intermediate for pharmaceutical and agrochemical compounds and enabling downstream production of active ingredients and related intermediates. It also acts as a precursor in dye and pigment chemistries, contributing to the synthesis of specialty dyes for coatings and inks. In materials and polymer contexts, it may function as a precursor or modifier for specialty polymers and advanced formulations, including liquid-crystal materials and other high-performance systems. In fragrance and perfumery, it may be used as an odorant or fragrance intermediate in niche applications. In research and development, it is used as a heteroaromatic building block to explore new quinoline derivatives. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.83
    methanol 253.67
    isopropanol 315.75
    water 0.06
    ethyl acetate 995.25
    n-propanol 394.65
    acetone 1597.46
    n-butanol 469.96
    acetonitrile 590.97
    DMF 1504.75
    toluene 819.2
    isobutanol 374.98
    1,4-dioxane 1938.68
    methyl acetate 819.92
    THF 2972.33
    2-butanone 1127.05
    n-pentanol 380.63
    sec-butanol 323.84
    n-hexane 437.18
    ethylene glycol 36.15
    NMP 1136.93
    cyclohexane 481.17
    DMSO 868.6
    n-butyl acetate 1378.12
    n-octanol 240.95
    chloroform 2141.81
    n-propyl acetate 622.29
    acetic acid 383.09
    dichloromethane 2311.75
    cyclohexanone 2018.21
    propylene glycol 64.0
    isopropyl acetate 562.15
    DMAc 958.45
    2-ethoxyethanol 392.3
    isopentanol 487.64
    n-heptane 208.85
    ethyl formate 486.74
    1,2-dichloroethane 2050.67
    n-hexanol 773.33
    2-methoxyethanol 629.89
    isobutyl acetate 522.28
    tetrachloromethane 233.82
    n-pentyl acetate 481.28
    transcutol 1938.44
    n-heptanol 219.15
    ethylbenzene 390.25
    MIBK 582.01
    2-propoxyethanol 918.01
    tert-butanol 412.2
    MTBE 775.66
    2-butoxyethanol 361.35
    propionic acid 321.39
    o-xylene 351.49
    formic acid 48.13
    diethyl ether 1366.33
    m-xylene 423.83
    p-xylene 493.33
    chlorobenzene 898.8
    dimethyl carbonate 335.5
    n-octane 79.94
    formamide 96.0
    cyclopentanone 1925.57
    2-pentanone 1109.02
    anisole 591.74
    cyclopentyl methyl ether 1438.68
    gamma-butyrolactone 1657.02
    1-methoxy-2-propanol 466.01
    pyridine 1565.7
    3-pentanone 892.46
    furfural 1033.94
    n-dodecane 50.55
    diethylene glycol 334.68
    diisopropyl ether 352.41
    tert-amyl alcohol 351.5
    acetylacetone 1011.37
    n-hexadecane 60.67
    acetophenone 452.7
    methyl propionate 787.18
    isopentyl acetate 1093.09
    trichloroethylene 2950.13
    n-nonanol 216.74
    cyclohexanol 600.52
    benzyl alcohol 349.65
    2-ethylhexanol 509.82
    isooctanol 188.91
    dipropyl ether 909.15
    1,2-dichlorobenzene 606.07
    ethyl lactate 164.97
    propylene carbonate 889.59
    n-methylformamide 355.63
    2-pentanol 341.13
    n-pentane 226.85
    1-propoxy-2-propanol 597.41
    1-methoxy-2-propyl acetate 700.0
    2-(2-methoxypropoxy) propanol 336.51
    mesitylene 237.47
    ε-caprolactone 1317.39
    p-cymene 221.15
    epichlorohydrin 2055.72
    1,1,1-trichloroethane 1239.46
    2-aminoethanol 97.8
    morpholine-4-carbaldehyde 1186.39
    sulfolane 1304.64
    2,2,4-trimethylpentane 84.82
    2-methyltetrahydrofuran 1835.05
    n-hexyl acetate 700.26
    isooctane 65.83
    2-(2-butoxyethoxy)ethanol 532.47
    sec-butyl acetate 410.18
    tert-butyl acetate 538.71
    decalin 174.12
    glycerin 88.99
    diglyme 1128.85
    acrylic acid 251.25
    isopropyl myristate 258.14
    n-butyric acid 624.45
    acetyl acetate 493.2
    di(2-ethylhexyl) phthalate 182.42
    ethyl propionate 486.15
    nitromethane 684.41
    1,2-diethoxyethane 1109.8
    benzonitrile 569.81
    trioctyl phosphate 138.16
    1-bromopropane 1185.46
    gamma-valerolactone 1937.3
    n-decanol 168.08
    triethyl phosphate 221.4
    4-methyl-2-pentanol 227.8
    propionitrile 488.48
    vinylene carbonate 724.33
    1,1,2-trichlorotrifluoroethane 633.76
    DMS 489.79
    cumene 234.79
    2-octanol 162.41
    2-hexanone 795.34
    octyl acetate 334.39
    limonene 403.81
    1,2-dimethoxyethane 1236.98
    ethyl orthosilicate 231.57
    tributyl phosphate 212.83
    diacetone alcohol 448.32
    N,N-dimethylaniline 368.62
    acrylonitrile 513.31
    aniline 618.56
    1,3-propanediol 239.1
    bromobenzene 1033.09
    dibromomethane 1572.0
    1,1,2,2-tetrachloroethane 2108.27
    2-methyl-cyclohexyl acetate 465.97
    tetrabutyl urea 266.24
    diisobutyl methanol 234.18
    2-phenylethanol 468.16
    styrene 534.42
    dioctyl adipate 330.17
    dimethyl sulfate 363.38
    ethyl butyrate 641.25
    methyl lactate 169.01
    butyl lactate 263.22
    diethyl carbonate 383.53
    propanediol butyl ether 253.99
    triethyl orthoformate 393.06
    p-tert-butyltoluene 210.45
    methyl 4-tert-butylbenzoate 297.71
    morpholine 1871.43
    tert-butylamine 324.04
    n-dodecanol 140.46
    dimethoxymethane 1076.71
    ethylene carbonate 717.97
    cyrene 292.37
    2-ethoxyethyl acetate 599.81
    2-ethylhexyl acetate 907.15
    1,2,4-trichlorobenzene 671.75
    4-methylpyridine 1410.5
    dibutyl ether 695.95
    2,6-dimethyl-4-heptanol 234.18
    DEF 1097.51
    dimethyl isosorbide 663.17
    tetrachloroethylene 1224.57
    eugenol 298.18
    triacetin 390.76
    span 80 295.55
    1,4-butanediol 100.6
    1,1-dichloroethane 1492.29
    2-methyl-1-pentanol 418.9
    methyl formate 361.8
    2-methyl-1-butanol 435.84
    n-decane 89.66
    butyronitrile 648.3
    3,7-dimethyl-1-octanol 269.02
    1-chlorooctane 326.16
    1-chlorotetradecane 129.6
    n-nonane 98.8
    undecane 65.06
    tert-butylcyclohexane 138.23
    cyclooctane 157.08
    cyclopentanol 522.56
    tetrahydropyran 2291.88
    tert-amyl methyl ether 546.6
    2,5,8-trioxanonane 609.74
    1-hexene 963.28
    2-isopropoxyethanol 333.51
    2,2,2-trifluoroethanol 101.32
    methyl butyrate 724.26

    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