2-Ethylquinoxaline

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  • Identifiers

    CAS number
    29750-44-5

    Molecular formula
    C10H10N2

    SMILES
    CCC1=NC2=CC=CC=C2N=C1

    Safety labels

  • Odor profile

    Fragrance
    Roasted 78.56%
    Nutty 75.02%
    Earthy 57.01%
    Coffee 55.99%
    Hazelnut 54.48%
    Burnt 53.62%
    Musty 50.25%
    Potato 46.24%
    Cocoa 43.09%
    Meaty 42.18%

     

    Flavor
    Nutty 66.02%
    Roasted 56.61%
    Coffee 51.79%
    Musty 46.83%
    Potato 44.82%
    Cocoa 44.61%
    Earthy 44.48%
    Peanut 44.47%
    Roast 42.75%
    Corn 39.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.61 (weak acid)

    Molecular weight
    158.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 119.93 ˚C est.

  • Synonyms

    • 2-Ethylquinoxaline
    • 29750-44-5
    • DTXSID80494069
    • RefChem:87013
    • DTXCID50444879
    • ethylquinoxalin
    • 2-Ethyl-quinoxaline
    • SCHEMBL577667
    • SCHEMBL752676
    • SCHEMBL3559408
    • SCHEMBL5792272
    • SCHEMBL31694655
    • HS-3829
    • DB-112045
    • 29750-44-5

  • Applications

    2-Ethylquinoxaline (CAS 29750-44-5) is primarily used as a synthetic intermediate in organic chemistry, providing a building block for the preparation of substituted quinoxaline-containing heterocycles. In pharmaceutical and agrochemical research, it is commonly evaluated as a starting point for derivatives built on the quinoxaline core after functionalization. In coatings, inks, and polymers, it serves as a specialized precursor for colorant-related chemistry and for incorporating quinoxaline-based building blocks into advanced materials. In electronics and related materials science, it is explored as a precursor for organic electronic materials and functional polymers, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.9
    methanol 69.61
    isopropanol 68.08
    water 0.26
    ethyl acetate 263.14
    n-propanol 87.8
    acetone 358.71
    n-butanol 97.22
    acetonitrile 218.6
    DMF 468.89
    toluene 178.02
    isobutanol 77.34
    1,4-dioxane 315.46
    methyl acetate 238.34
    THF 475.22
    2-butanone 270.0
    n-pentanol 92.31
    sec-butanol 82.18
    n-hexane 42.62
    ethylene glycol 14.23
    NMP 337.63
    cyclohexane 65.07
    DMSO 310.0
    n-butyl acetate 376.98
    n-octanol 94.93
    chloroform 925.44
    n-propyl acetate 225.53
    acetic acid 180.91
    dichloromethane 1176.17
    cyclohexanone 420.55
    propylene glycol 15.76
    isopropyl acetate 141.45
    DMAc 294.87
    2-ethoxyethanol 112.36
    isopentanol 94.76
    n-heptane 47.35
    ethyl formate 263.58
    1,2-dichloroethane 702.73
    n-hexanol 139.7
    2-methoxyethanol 162.14
    isobutyl acetate 143.83
    tetrachloromethane 139.28
    n-pentyl acetate 184.26
    transcutol 496.27
    n-heptanol 86.89
    ethylbenzene 129.24
    MIBK 123.44
    2-propoxyethanol 161.75
    tert-butanol 80.71
    MTBE 103.71
    2-butoxyethanol 127.74
    propionic acid 121.0
    o-xylene 118.28
    formic acid 33.94
    diethyl ether 192.93
    m-xylene 123.94
    p-xylene 179.05
    chlorobenzene 303.33
    dimethyl carbonate 115.86
    n-octane 27.97
    formamide 86.0
    cyclopentanone 467.76
    2-pentanone 210.91
    anisole 167.44
    cyclopentyl methyl ether 212.92
    gamma-butyrolactone 579.82
    1-methoxy-2-propanol 104.09
    pyridine 480.4
    3-pentanone 193.66
    furfural 492.53
    n-dodecane 20.42
    diethylene glycol 86.76
    diisopropyl ether 56.53
    tert-amyl alcohol 86.59
    acetylacetone 256.74
    n-hexadecane 23.46
    acetophenone 181.63
    methyl propionate 205.15
    isopentyl acetate 263.02
    trichloroethylene 1153.47
    n-nonanol 85.36
    cyclohexanol 108.05
    benzyl alcohol 123.29
    2-ethylhexanol 117.99
    isooctanol 70.67
    dipropyl ether 175.59
    1,2-dichlorobenzene 278.08
    ethyl lactate 72.26
    propylene carbonate 349.4
    n-methylformamide 193.13
    2-pentanol 68.44
    n-pentane 33.78
    1-propoxy-2-propanol 132.44
    1-methoxy-2-propyl acetate 180.46
    2-(2-methoxypropoxy) propanol 119.27
    mesitylene 74.83
    ε-caprolactone 335.83
    p-cymene 96.81
    epichlorohydrin 585.31
    1,1,1-trichloroethane 460.55
    2-aminoethanol 29.57
    morpholine-4-carbaldehyde 307.75
    sulfolane 477.53
    2,2,4-trimethylpentane 16.34
    2-methyltetrahydrofuran 314.79
    n-hexyl acetate 229.37
    isooctane 11.38
    2-(2-butoxyethoxy)ethanol 168.98
    sec-butyl acetate 122.75
    tert-butyl acetate 125.64
    decalin 35.17
    glycerin 28.17
    diglyme 364.89
    acrylic acid 117.74
    isopropyl myristate 87.84
    n-butyric acid 196.48
    acetyl acetate 163.6
    di(2-ethylhexyl) phthalate 82.12
    ethyl propionate 179.23
    nitromethane 364.68
    1,2-diethoxyethane 283.86
    benzonitrile 259.57
    trioctyl phosphate 62.93
    1-bromopropane 318.75
    gamma-valerolactone 458.68
    n-decanol 68.25
    triethyl phosphate 93.27
    4-methyl-2-pentanol 49.51
    propionitrile 201.81
    vinylene carbonate 348.66
    1,1,2-trichlorotrifluoroethane 231.28
    DMS 181.08
    cumene 88.58
    2-octanol 69.69
    2-hexanone 211.15
    octyl acetate 113.85
    limonene 118.09
    1,2-dimethoxyethane 340.8
    ethyl orthosilicate 88.23
    tributyl phosphate 87.18
    diacetone alcohol 111.16
    N,N-dimethylaniline 126.03
    acrylonitrile 279.03
    aniline 151.0
    1,3-propanediol 64.98
    bromobenzene 358.59
    dibromomethane 737.87
    1,1,2,2-tetrachloroethane 741.73
    2-methyl-cyclohexyl acetate 142.67
    tetrabutyl urea 112.91
    diisobutyl methanol 66.87
    2-phenylethanol 151.03
    styrene 161.89
    dioctyl adipate 120.47
    dimethyl sulfate 150.74
    ethyl butyrate 226.16
    methyl lactate 63.39
    butyl lactate 106.16
    diethyl carbonate 168.1
    propanediol butyl ether 95.09
    triethyl orthoformate 135.07
    p-tert-butyltoluene 77.65
    methyl 4-tert-butylbenzoate 141.7
    morpholine 280.72
    tert-butylamine 64.56
    n-dodecanol 56.8
    dimethoxymethane 248.91
    ethylene carbonate 289.58
    cyrene 114.59
    2-ethoxyethyl acetate 215.64
    2-ethylhexyl acetate 227.24
    1,2,4-trichlorobenzene 291.05
    4-methylpyridine 399.11
    dibutyl ether 194.83
    2,6-dimethyl-4-heptanol 66.87
    DEF 258.66
    dimethyl isosorbide 224.67
    tetrachloroethylene 554.84
    eugenol 139.25
    triacetin 156.76
    span 80 103.8
    1,4-butanediol 32.38
    1,1-dichloroethane 493.04
    2-methyl-1-pentanol 96.11
    methyl formate 216.68
    2-methyl-1-butanol 90.46
    n-decane 32.69
    butyronitrile 223.35
    3,7-dimethyl-1-octanol 82.49
    1-chlorooctane 115.5
    1-chlorotetradecane 47.77
    n-nonane 33.95
    undecane 25.16
    tert-butylcyclohexane 27.75
    cyclooctane 24.02
    cyclopentanol 122.78
    tetrahydropyran 323.59
    tert-amyl methyl ether 93.72
    2,5,8-trioxanonane 227.38
    1-hexene 131.4
    2-isopropoxyethanol 89.78
    2,2,2-trifluoroethanol 67.69
    methyl butyrate 268.37

    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