6-Isopropylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    135-79-5

    Molecular formula
    C12H13N

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Green 79.34%
    Earthy 76.26%
    Animal 52.86%
    Leathery 50.1%
    Herbal 49.49%
    Nutty 45.49%
    Leafy 44.86%
    Woody 39.08%
    Musty 36.67%
    Tobacco 36.32%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.5 (weak acid)

    Molecular weight
    171.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point est.
    123.64 ˚C

  • Synonyms

    • 6-Isopropylquinoline
    • 135-79-5
    • 6-propan-2-ylquinoline
    • Quinoline, 6-(1-methylethyl)-
    • 6-(Isopropyl)quinoline
    • 6-(1-Methylethyl)quinoline
    • 8GE3N8WV7Y
    • EINECS 205-220-2
    • AI3-36194
    • DTXSID9047465
    • QUINOLINE, 6-ISOPROPYL-
    • 6-(propan-2-yl)quinoline
    • Quinoline,(1-methylethyl)-
    • Quinoline,6-(1-methylethyl)-
    • MFCD00047615
    • 6(Isopropyl)quinoline
    • UNII-8GE3N8WV7Y
    • Quinoline, 6(1methylethyl)
    • SCHEMBL112749
    • CHEMBL3183913
    • DTXCID7027465
    • NKCQEIXYLHACJC-UHFFFAOYSA-
    • Tox21_302711
    • AKOS009158639
    • SB67583
    • NCGC00256828-01
    • CAS-135-79-5
    • DB-042318
    • DB-368919
    • I0529
    • NS00012771
    • EN300-36283
    • D91177
    • Z362807154
    • InChI=1/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
    • 205-220-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 243.03
    methanol 138.73
    isopropanol 128.16
    water 0.07
    ethyl acetate 817.28
    n-propanol 222.62
    acetone 1057.15
    n-butanol 211.47
    acetonitrile 454.01
    DMF 1138.81
    toluene 563.84
    isobutanol 158.03
    1,4-dioxane 1188.43
    methyl acetate 687.12
    THF 1672.28
    2-butanone 827.29
    n-pentanol 133.93
    sec-butanol 118.23
    n-hexane 35.55
    ethylene glycol 18.1
    NMP 559.95
    cyclohexane 58.66
    DMSO 422.68
    n-butyl acetate 673.74
    n-octanol 56.11
    chloroform 1306.37
    n-propyl acetate 352.94
    acetic acid 173.02
    dichloromethane 2022.74
    cyclohexanone 1004.26
    propylene glycol 22.04
    isopropyl acetate 332.32
    DMAc 601.8
    2-ethoxyethanol 204.88
    isopentanol 177.7
    n-heptane 31.66
    ethyl formate 386.26
    1,2-dichloroethane 1754.74
    n-hexanol 250.11
    2-methoxyethanol 413.57
    isobutyl acetate 232.47
    tetrachloromethane 130.15
    n-pentyl acetate 210.53
    transcutol 979.15
    n-heptanol 69.78
    ethylbenzene 175.34
    MIBK 259.32
    2-propoxyethanol 428.5
    tert-butanol 157.61
    MTBE 373.41
    2-butoxyethanol 146.31
    propionic acid 168.37
    o-xylene 191.46
    formic acid 28.37
    diethyl ether 778.92
    m-xylene 253.09
    p-xylene 217.65
    chlorobenzene 554.52
    dimethyl carbonate 228.3
    n-octane 12.83
    formamide 90.5
    cyclopentanone 1268.01
    2-pentanone 671.55
    anisole 317.39
    cyclopentyl methyl ether 662.13
    gamma-butyrolactone 1198.08
    1-methoxy-2-propanol 238.19
    pyridine 1266.8
    3-pentanone 574.79
    furfural 684.55
    n-dodecane 9.42
    diethylene glycol 162.27
    diisopropyl ether 124.83
    tert-amyl alcohol 130.83
    acetylacetone 613.38
    n-hexadecane 11.47
    acetophenone 253.2
    methyl propionate 640.2
    isopentyl acetate 494.66
    trichloroethylene 2306.12
    n-nonanol 55.95
    cyclohexanol 173.29
    benzyl alcohol 176.11
    2-ethylhexanol 151.56
    isooctanol 60.3
    dipropyl ether 331.64
    1,2-dichlorobenzene 341.43
    ethyl lactate 73.0
    propylene carbonate 448.82
    n-methylformamide 337.23
    2-pentanol 109.99
    n-pentane 29.75
    1-propoxy-2-propanol 234.0
    1-methoxy-2-propyl acetate 409.38
    2-(2-methoxypropoxy) propanol 138.72
    mesitylene 109.67
    ε-caprolactone 663.75
    p-cymene 93.53
    epichlorohydrin 1708.99
    1,1,1-trichloroethane 733.27
    2-aminoethanol 52.83
    morpholine-4-carbaldehyde 694.3
    sulfolane 719.22
    2,2,4-trimethylpentane 16.74
    2-methyltetrahydrofuran 1030.37
    n-hexyl acetate 235.05
    isooctane 12.75
    2-(2-butoxyethoxy)ethanol 215.11
    sec-butyl acetate 209.66
    tert-butyl acetate 288.46
    decalin 32.62
    glycerin 35.34
    diglyme 564.45
    acrylic acid 131.82
    isopropyl myristate 85.68
    n-butyric acid 288.89
    acetyl acetate 334.34
    di(2-ethylhexyl) phthalate 77.15
    ethyl propionate 303.33
    nitromethane 588.39
    1,2-diethoxyethane 623.7
    benzonitrile 302.54
    trioctyl phosphate 51.18
    1-bromopropane 751.7
    gamma-valerolactone 1259.58
    n-decanol 45.1
    triethyl phosphate 103.98
    4-methyl-2-pentanol 71.7
    propionitrile 382.44
    vinylene carbonate 444.66
    1,1,2-trichlorotrifluoroethane 338.19
    DMS 251.6
    cumene 96.5
    2-octanol 44.63
    2-hexanone 353.48
    octyl acetate 109.54
    limonene 140.7
    1,2-dimethoxyethane 685.74
    ethyl orthosilicate 108.27
    tributyl phosphate 75.07
    diacetone alcohol 209.04
    N,N-dimethylaniline 175.1
    acrylonitrile 466.01
    aniline 390.24
    1,3-propanediol 118.98
    bromobenzene 622.22
    dibromomethane 1134.63
    1,1,2,2-tetrachloroethane 1203.35
    2-methyl-cyclohexyl acetate 209.61
    tetrabutyl urea 95.01
    diisobutyl methanol 77.47
    2-phenylethanol 225.47
    styrene 251.22
    dioctyl adipate 120.42
    dimethyl sulfate 236.48
    ethyl butyrate 348.37
    methyl lactate 83.31
    butyl lactate 96.16
    diethyl carbonate 202.4
    propanediol butyl ether 79.74
    triethyl orthoformate 186.14
    p-tert-butyltoluene 87.7
    methyl 4-tert-butylbenzoate 143.61
    morpholine 1200.95
    tert-butylamine 110.65
    n-dodecanol 37.12
    dimethoxymethane 886.95
    ethylene carbonate 376.62
    cyrene 140.73
    2-ethoxyethyl acetate 358.91
    2-ethylhexyl acetate 395.54
    1,2,4-trichlorobenzene 364.22
    4-methylpyridine 1090.69
    dibutyl ether 195.94
    2,6-dimethyl-4-heptanol 77.47
    DEF 725.98
    dimethyl isosorbide 344.23
    tetrachloroethylene 761.24
    eugenol 139.22
    triacetin 168.75
    span 80 107.06
    1,4-butanediol 36.96
    1,1-dichloroethane 1026.52
    2-methyl-1-pentanol 137.81
    methyl formate 310.47
    2-methyl-1-butanol 170.63
    n-decane 15.77
    butyronitrile 394.17
    3,7-dimethyl-1-octanol 71.07
    1-chlorooctane 82.46
    1-chlorotetradecane 32.54
    n-nonane 14.94
    undecane 11.92
    tert-butylcyclohexane 29.02
    cyclooctane 19.75
    cyclopentanol 181.66
    tetrahydropyran 1220.52
    tert-amyl methyl ether 241.28
    2,5,8-trioxanonane 291.67
    1-hexene 188.21
    2-isopropoxyethanol 151.29
    2,2,2-trifluoroethanol 53.97
    methyl butyrate 409.62

    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