Diethylquinoline

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  • Identifiers

    CAS number
    68228-10-4

    Molecular formula
    C13H15N

    SMILES
    CCC1=CC2=C(C=C1)N=C(C=C2)CC

    Safety labels

  • Odor profile

    Fragrance
    Earthy 62.23%
    Animal 56.08%
    Green 50.04%
    Leathery 47.7%
    Nutty 45.41%
    Herbal 42.58%
    Tobacco 39.43%
    Musty 39.01%
    Roasted 38.98%
    Burnt 37.47%

     

    Flavor
    Earthy 47.79%
    Nutty 44.2%
    Green 44.08%
    Woody 41.2%
    Musty 39.65%
    Spicy 38.96%
    Herbal 37.0%
    Roasted 33.91%
    Pepper 32.96%
    Floral 30.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.05 (neutral)

    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

    • 126.59 ˚C est.

  • Synonyms

    • DIETHYLQUINOLINE
    • 68228-10-4
    • Quinoline, diethyl-
    • DTXSID501021795
    • EINECS 269-406-5
    • RefChem:587427
    • DTXCID601506758
    • 269-406-5
    • 2,6-diethylquinoline
    • SCHEMBL12824284
    • KXXUQZRDMOQZFD-UHFFFAOYSA-N
    • NS00012224
    • 68228-10-4

  • Applications

    Diethylquinoline (CAS number: 68228-10-4) is used primarily as a synthetic intermediate and building block in organic synthesis, supporting the production of quinoline-based dyes and pigments as well as pharmaceutical and agrochemical intermediates, and it can also serve as a specialized heterocyclic precursor. It can function as a reactive solvent or processing aid in industrial manufacturing, including coatings and inks, and may be employed as a precursor or modifier in polymer formulations. In electronics or optically related applications, it is sometimes evaluated as a precursor for fluorescent or luminescent materials. Usage is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 207.55
    methanol 155.61
    isopropanol 126.88
    water 0.03
    ethyl acetate 932.69
    n-propanol 196.22
    acetone 978.62
    n-butanol 209.54
    acetonitrile 367.49
    DMF 1438.46
    toluene 742.72
    isobutanol 156.1
    1,4-dioxane 1524.85
    methyl acetate 758.65
    THF 1471.45
    2-butanone 844.65
    n-pentanol 184.16
    sec-butanol 131.84
    n-hexane 141.96
    ethylene glycol 15.89
    NMP 705.97
    cyclohexane 152.96
    DMSO 530.74
    n-butyl acetate 1317.12
    n-octanol 112.23
    chloroform 1851.12
    n-propyl acetate 613.26
    acetic acid 178.94
    dichloromethane 2871.38
    cyclohexanone 1209.21
    propylene glycol 20.87
    isopropyl acetate 514.54
    DMAc 917.78
    2-ethoxyethanol 282.31
    isopentanol 208.75
    n-heptane 93.24
    ethyl formate 404.48
    1,2-dichloroethane 2224.05
    n-hexanol 345.64
    2-methoxyethanol 425.1
    isobutyl acetate 499.54
    tetrachloromethane 229.1
    n-pentyl acetate 430.68
    transcutol 1442.59
    n-heptanol 120.19
    ethylbenzene 345.99
    MIBK 405.56
    2-propoxyethanol 532.17
    tert-butanol 185.11
    MTBE 576.41
    2-butoxyethanol 235.73
    propionic acid 162.66
    o-xylene 314.42
    formic acid 26.89
    diethyl ether 1033.35
    m-xylene 376.51
    p-xylene 410.6
    chlorobenzene 722.68
    dimethyl carbonate 329.41
    n-octane 46.81
    formamide 75.96
    cyclopentanone 1252.89
    2-pentanone 717.16
    anisole 568.44
    cyclopentyl methyl ether 744.78
    gamma-butyrolactone 1189.1
    1-methoxy-2-propanol 266.23
    pyridine 1337.42
    3-pentanone 722.42
    furfural 832.83
    n-dodecane 32.43
    diethylene glycol 200.77
    diisopropyl ether 235.63
    tert-amyl alcohol 177.5
    acetylacetone 891.56
    n-hexadecane 38.68
    acetophenone 454.42
    methyl propionate 701.39
    isopentyl acetate 1012.91
    trichloroethylene 2852.48
    n-nonanol 109.96
    cyclohexanol 206.05
    benzyl alcohol 255.95
    2-ethylhexanol 278.08
    isooctanol 106.65
    dipropyl ether 606.04
    1,2-dichlorobenzene 589.13
    ethyl lactate 118.47
    propylene carbonate 582.39
    n-methylformamide 320.31
    2-pentanol 135.07
    n-pentane 78.56
    1-propoxy-2-propanol 365.24
    1-methoxy-2-propyl acetate 685.14
    2-(2-methoxypropoxy) propanol 245.91
    mesitylene 208.05
    ε-caprolactone 854.68
    p-cymene 192.11
    epichlorohydrin 1666.59
    1,1,1-trichloroethane 1069.21
    2-aminoethanol 45.97
    morpholine-4-carbaldehyde 945.56
    sulfolane 801.57
    2,2,4-trimethylpentane 39.66
    2-methyltetrahydrofuran 948.76
    n-hexyl acetate 492.72
    isooctane 31.36
    2-(2-butoxyethoxy)ethanol 346.99
    sec-butyl acetate 409.06
    tert-butyl acetate 471.89
    decalin 89.93
    glycerin 36.64
    diglyme 884.35
    acrylic acid 134.37
    isopropyl myristate 190.05
    n-butyric acid 320.87
    acetyl acetate 499.75
    di(2-ethylhexyl) phthalate 146.56
    ethyl propionate 517.66
    nitromethane 562.61
    1,2-diethoxyethane 1210.41
    benzonitrile 464.27
    trioctyl phosphate 99.3
    1-bromopropane 1048.34
    gamma-valerolactone 1323.79
    n-decanol 91.29
    triethyl phosphate 206.56
    4-methyl-2-pentanol 106.37
    propionitrile 377.32
    vinylene carbonate 574.26
    1,1,2-trichlorotrifluoroethane 397.2
    DMS 520.96
    cumene 200.89
    2-octanol 90.9
    2-hexanone 571.96
    octyl acetate 232.89
    limonene 280.04
    1,2-dimethoxyethane 1107.6
    ethyl orthosilicate 221.03
    tributyl phosphate 158.83
    diacetone alcohol 298.16
    N,N-dimethylaniline 343.35
    acrylonitrile 449.0
    aniline 417.16
    1,3-propanediol 112.16
    bromobenzene 940.07
    dibromomethane 1693.95
    1,1,2,2-tetrachloroethane 1731.54
    2-methyl-cyclohexyl acetate 380.56
    tetrabutyl urea 205.13
    diisobutyl methanol 148.89
    2-phenylethanol 362.85
    styrene 472.7
    dioctyl adipate 241.47
    dimethyl sulfate 339.67
    ethyl butyrate 658.18
    methyl lactate 106.27
    butyl lactate 180.9
    diethyl carbonate 407.18
    propanediol butyl ether 125.68
    triethyl orthoformate 378.21
    p-tert-butyltoluene 179.62
    methyl 4-tert-butylbenzoate 251.48
    morpholine 1238.05
    tert-butylamine 150.92
    n-dodecanol 80.75
    dimethoxymethane 1121.7
    ethylene carbonate 505.57
    cyrene 199.96
    2-ethoxyethyl acetate 634.48
    2-ethylhexyl acetate 852.18
    1,2,4-trichlorobenzene 597.88
    4-methylpyridine 1286.33
    dibutyl ether 481.02
    2,6-dimethyl-4-heptanol 148.89
    DEF 997.47
    dimethyl isosorbide 534.84
    tetrachloroethylene 1167.26
    eugenol 244.72
    triacetin 320.86
    span 80 184.88
    1,4-butanediol 49.56
    1,1-dichloroethane 1242.08
    2-methyl-1-pentanol 221.12
    methyl formate 313.01
    2-methyl-1-butanol 196.81
    n-decane 52.23
    butyronitrile 420.02
    3,7-dimethyl-1-octanol 142.84
    1-chlorooctane 201.35
    1-chlorotetradecane 87.27
    n-nonane 52.11
    undecane 40.31
    tert-butylcyclohexane 77.08
    cyclooctane 56.55
    cyclopentanol 175.8
    tetrahydropyran 1316.62
    tert-amyl methyl ether 400.4
    2,5,8-trioxanonane 503.48
    1-hexene 445.75
    2-isopropoxyethanol 237.02
    2,2,2-trifluoroethanol 59.51
    methyl butyrate 684.89

    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