2,3-Dimethylquinoxaline

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  • Identifiers

    CAS number
    2379-55-7

    Molecular formula
    C10H10N2

    SMILES
    CC1=NC2=CC=CC=C2N=C1C

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 72.53%
    Nutty 64.45%
    Burnt 58.7%
    Earthy 52.36%
    Coffee 52.02%
    Musty 50.29%
    Hazelnut 48.85%
    Cocoa 40.33%
    Potato 36.94%
    Meaty 35.3%

     

    Flavor
    Nutty 60.4%
    Roasted 53.79%
    Coffee 53.46%
    Cocoa 52.01%
    Musty 44.64%
    Corn 42.15%
    Roast 41.57%
    Hazelnut 39.81%
    Burnt 39.44%
    Peanut 36.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.75 (weak acid)

    Molecular weight
    158.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 114.2 ˚C est.

  • Synonyms

    • 2,3-Dimethylquinoxaline
    • 2379-55-7
    • QUINOXALINE, 2,3-DIMETHYL-
    • NSC 1789
    • EINECS 219-162-0
    • 4K2NH2OBE9
    • MFCD00006728
    • BRN 0114832
    • NSC-1789
    • UNII-4K2NH2OBE9
    • DTXSID4062355
    • 2,3-dimethyl-1,4-naphthyridine
    • CHEBI:132810
    • 5-23-07-00267 (Beilstein Handbook Reference)
    • quinoxaline,2,3-dimethyl-
    • NSC1789
    • 2.3-Dimethylquinoxaline
    • Quinoxaline,3-dimethyl-
    • 2,3-Dimethyl-quinoxaline
    • Quinoxaline, 2,3dimethyl
    • CHEMBL67865
    • SCHEMBL103601
    • 2,3-Dimethylquinoxaline, 97%
    • DTXCID4036936
    • HMS1670C11
    • 2,3-Dimethylquinoxaline, >=97%
    • WLN: T66 BN ENJ C1 D1
    • STK744139
    • AKOS003235661
    • CS-W016201
    • FD35656
    • NCGC00186191-01
    • NCGC00186191-02
    • NCGC00186191-03
    • BS-16229
    • SY049291
    • DB-046249
    • D0795
    • NS00006264
    • D89719
    • EN300-215112
    • AB01324042-02
    • 10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.1
    • 10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.2
    • AE-641/00127031
    • doi:10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.1
    • doi:10.14272/FKHNZQFCDGOQGV-UHFFFAOYSA-N.2
    • Q27225674
    • 219-162-0

  • Applications

    2,3-Dimethylquinoxaline (CAS 2379-55-7) is used primarily as a versatile building block in organic synthesis, serving as an intermediate for the preparation of more complex quinoxaline-based compounds in pharmaceutical and agrochemical research. It may be used as a precursor for materials in electronics, offering a heteroaromatic core suitable for small-molecule semiconductors and as a scaffold for electronic chemistries related to OLED or OFET applications. In analytical and sensing contexts, derivatives of this scaffold are investigated as dyes or fluorescent probes for optical detection. In coatings and polymer science, it can be incorporated into functionalized polymers or crosslinkable systems to enhance thermal stability and electronic properties. Additionally, it may act as a ligand precursor in metal-catalyzed processes, supporting the development of catalytic systems for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.93
    methanol 90.79
    isopropanol 70.82
    water 1.84
    ethyl acetate 264.46
    n-propanol 94.94
    acetone 310.47
    n-butanol 86.63
    acetonitrile 221.24
    DMF 432.93
    toluene 206.32
    isobutanol 79.4
    1,4-dioxane 367.51
    methyl acetate 279.17
    THF 488.86
    2-butanone 271.22
    n-pentanol 74.43
    sec-butanol 80.97
    n-hexane 65.81
    ethylene glycol 19.95
    NMP 434.71
    cyclohexane 94.47
    DMSO 271.38
    n-butyl acetate 295.28
    n-octanol 95.77
    chloroform 986.08
    n-propyl acetate 203.89
    acetic acid 105.89
    dichloromethane 1276.17
    cyclohexanone 385.62
    propylene glycol 20.33
    isopropyl acetate 137.47
    DMAc 358.77
    2-ethoxyethanol 97.98
    isopentanol 72.17
    n-heptane 73.91
    ethyl formate 276.43
    1,2-dichloroethane 677.01
    n-hexanol 112.16
    2-methoxyethanol 138.45
    isobutyl acetate 124.15
    tetrachloromethane 256.97
    n-pentyl acetate 182.77
    transcutol 191.96
    n-heptanol 87.05
    ethylbenzene 165.95
    MIBK 115.11
    2-propoxyethanol 139.4
    tert-butanol 79.32
    MTBE 119.79
    2-butoxyethanol 113.1
    propionic acid 124.11
    o-xylene 162.92
    formic acid 31.63
    diethyl ether 190.63
    m-xylene 137.72
    p-xylene 241.16
    chlorobenzene 273.71
    dimethyl carbonate 137.44
    n-octane 45.78
    formamide 82.13
    cyclopentanone 487.12
    2-pentanone 197.11
    anisole 186.95
    cyclopentyl methyl ether 233.5
    gamma-butyrolactone 581.55
    1-methoxy-2-propanol 95.07
    pyridine 418.26
    3-pentanone 227.09
    furfural 451.06
    n-dodecane 30.81
    diethylene glycol 76.88
    diisopropyl ether 69.54
    tert-amyl alcohol 82.85
    acetylacetone 227.85
    n-hexadecane 35.3
    acetophenone 196.18
    methyl propionate 238.1
    isopentyl acetate 203.85
    trichloroethylene 988.65
    n-nonanol 86.43
    cyclohexanol 105.65
    benzyl alcohol 119.23
    2-ethylhexanol 102.57
    isooctanol 69.02
    dipropyl ether 192.64
    1,2-dichlorobenzene 283.98
    ethyl lactate 78.05
    propylene carbonate 325.41
    n-methylformamide 218.11
    2-pentanol 61.11
    n-pentane 49.54
    1-propoxy-2-propanol 116.16
    1-methoxy-2-propyl acetate 169.12
    2-(2-methoxypropoxy) propanol 97.42
    mesitylene 90.19
    ε-caprolactone 326.18
    p-cymene 119.46
    epichlorohydrin 552.64
    1,1,1-trichloroethane 514.27
    2-aminoethanol 37.36
    morpholine-4-carbaldehyde 350.25
    sulfolane 473.46
    2,2,4-trimethylpentane 24.0
    2-methyltetrahydrofuran 330.45
    n-hexyl acetate 215.28
    isooctane 15.25
    2-(2-butoxyethoxy)ethanol 117.4
    sec-butyl acetate 120.53
    tert-butyl acetate 118.96
    decalin 49.42
    glycerin 28.96
    diglyme 278.93
    acrylic acid 110.77
    isopropyl myristate 94.48
    n-butyric acid 155.94
    acetyl acetate 169.76
    di(2-ethylhexyl) phthalate 82.71
    ethyl propionate 197.58
    nitromethane 282.81
    1,2-diethoxyethane 203.31
    benzonitrile 219.12
    trioctyl phosphate 68.2
    1-bromopropane 343.23
    gamma-valerolactone 452.26
    n-decanol 71.29
    triethyl phosphate 111.7
    4-methyl-2-pentanol 40.16
    propionitrile 197.88
    vinylene carbonate 362.09
    1,1,2-trichlorotrifluoroethane 203.17
    DMS 199.88
    cumene 112.68
    2-octanol 74.75
    2-hexanone 194.54
    octyl acetate 122.19
    limonene 136.44
    1,2-dimethoxyethane 315.96
    ethyl orthosilicate 99.04
    tributyl phosphate 89.91
    diacetone alcohol 96.81
    N,N-dimethylaniline 156.37
    acrylonitrile 245.56
    aniline 145.24
    1,3-propanediol 59.72
    bromobenzene 333.99
    dibromomethane 810.46
    1,1,2,2-tetrachloroethane 669.52
    2-methyl-cyclohexyl acetate 149.86
    tetrabutyl urea 122.24
    diisobutyl methanol 65.86
    2-phenylethanol 134.18
    styrene 180.18
    dioctyl adipate 124.26
    dimethyl sulfate 181.9
    ethyl butyrate 222.23
    methyl lactate 71.94
    butyl lactate 104.55
    diethyl carbonate 179.89
    propanediol butyl ether 72.39
    triethyl orthoformate 142.4
    p-tert-butyltoluene 99.03
    methyl 4-tert-butylbenzoate 150.34
    morpholine 276.43
    tert-butylamine 65.42
    n-dodecanol 60.1
    dimethoxymethane 272.9
    ethylene carbonate 308.7
    cyrene 113.41
    2-ethoxyethyl acetate 200.19
    2-ethylhexyl acetate 195.05
    1,2,4-trichlorobenzene 284.92
    4-methylpyridine 362.72
    dibutyl ether 176.34
    2,6-dimethyl-4-heptanol 65.86
    DEF 277.34
    dimethyl isosorbide 222.33
    tetrachloroethylene 546.33
    eugenol 131.61
    triacetin 162.34
    span 80 90.34
    1,4-butanediol 33.65
    1,1-dichloroethane 513.71
    2-methyl-1-pentanol 74.36
    methyl formate 241.47
    2-methyl-1-butanol 78.86
    n-decane 50.25
    butyronitrile 195.28
    3,7-dimethyl-1-octanol 76.74
    1-chlorooctane 127.33
    1-chlorotetradecane 56.4
    n-nonane 54.01
    undecane 38.56
    tert-butylcyclohexane 40.51
    cyclooctane 38.98
    cyclopentanol 139.9
    tetrahydropyran 295.92
    tert-amyl methyl ether 111.29
    2,5,8-trioxanonane 179.61
    1-hexene 138.44
    2-isopropoxyethanol 79.85
    2,2,2-trifluoroethanol 74.32
    methyl butyrate 264.38

    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