2,5-Dimethylquinoxaline

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  • Identifiers

    CAS number
    26941-20-8

    Molecular formula
    C10H10N2

    SMILES
    CC1=C2C(=CC=C1)N=C(C=N2)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 71.84%
    Nutty 62.93%
    Burnt 51.98%
    Coffee 51.05%
    Hazelnut 49.6%
    Earthy 46.92%
    Musty 43.98%
    Fruity 39.8%
    Cocoa 37.27%
    Potato 36.66%

     

    Flavor
    Coffee 48.86%
    Roasted 48.57%
    Nutty 48.09%
    Cocoa 47.8%
    Musty 38.0%
    Burnt 34.32%
    Bitter 33.84%
    Roast 33.75%
    Corn 33.39%
    Potato 32.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    3.56 (weak acid)

    Molecular weight
    158.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 120.47 ˚C est.

  • Synonyms

    • 2,5-Dimethylquinoxaline
    • 26941-20-8
    • 2,5-dimethyl-quinoxaline
    • SCHEMBL2409977
    • SCHEMBL8404386
    • MFCD18448735
    • AKOS006373448
    • SY516592
    • 26941-20-8

  • Applications

    2,5-Dimethylquinoxaline (CAS 26941-20-8) is primarily used as an organic synthesis intermediate and building block for heterocyclic compounds, including precursors for pharmaceutical and agrochemical products; it is also employed in dye and pigment chemistry and as a precursor for fluorescent and other organic electronic materials. The compound is often evaluated for applications in electronics and optoelectronics, such as organic semiconductors and OLED-related systems, and can serve as a starting material in polymer and coating formulations. In some cases, it acts as a ligand or auxiliary in catalytic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.31
    methanol 116.7
    isopropanol 91.85
    water 0.67
    ethyl acetate 235.9
    n-propanol 120.87
    acetone 299.23
    n-butanol 126.46
    acetonitrile 255.04
    DMF 367.4
    toluene 225.39
    isobutanol 97.64
    1,4-dioxane 397.67
    methyl acetate 204.5
    THF 619.42
    2-butanone 225.35
    n-pentanol 111.23
    sec-butanol 95.52
    n-hexane 55.2
    ethylene glycol 19.36
    NMP 282.76
    cyclohexane 87.97
    DMSO 252.5
    n-butyl acetate 336.89
    n-octanol 106.02
    chloroform 762.55
    n-propyl acetate 186.63
    acetic acid 143.15
    dichloromethane 997.72
    cyclohexanone 379.98
    propylene glycol 18.59
    isopropyl acetate 118.3
    DMAc 218.14
    2-ethoxyethanol 129.7
    isopentanol 106.87
    n-heptane 93.15
    ethyl formate 242.44
    1,2-dichloroethane 496.63
    n-hexanol 187.92
    2-methoxyethanol 176.21
    isobutyl acetate 119.58
    tetrachloromethane 141.27
    n-pentyl acetate 158.15
    transcutol 342.18
    n-heptanol 103.06
    ethylbenzene 130.37
    MIBK 113.69
    2-propoxyethanol 212.36
    tert-butanol 99.78
    MTBE 121.1
    2-butoxyethanol 132.7
    propionic acid 110.52
    o-xylene 132.72
    formic acid 40.16
    diethyl ether 228.42
    m-xylene 142.96
    p-xylene 181.09
    chlorobenzene 244.67
    dimethyl carbonate 96.37
    n-octane 36.07
    formamide 74.89
    cyclopentanone 419.9
    2-pentanone 198.73
    anisole 159.26
    cyclopentyl methyl ether 268.58
    gamma-butyrolactone 454.3
    1-methoxy-2-propanol 107.01
    pyridine 428.75
    3-pentanone 176.83
    furfural 368.92
    n-dodecane 23.3
    diethylene glycol 106.6
    diisopropyl ether 68.86
    tert-amyl alcohol 92.55
    acetylacetone 194.36
    n-hexadecane 26.76
    acetophenone 156.04
    methyl propionate 182.63
    isopentyl acetate 217.53
    trichloroethylene 763.81
    n-nonanol 92.71
    cyclohexanol 130.24
    benzyl alcohol 121.33
    2-ethylhexanol 143.89
    isooctanol 75.71
    dipropyl ether 255.48
    1,2-dichlorobenzene 209.17
    ethyl lactate 66.01
    propylene carbonate 256.1
    n-methylformamide 180.86
    2-pentanol 83.19
    n-pentane 50.09
    1-propoxy-2-propanol 153.23
    1-methoxy-2-propyl acetate 159.57
    2-(2-methoxypropoxy) propanol 110.11
    mesitylene 81.08
    ε-caprolactone 287.94
    p-cymene 110.86
    epichlorohydrin 478.55
    1,1,1-trichloroethane 356.32
    2-aminoethanol 41.78
    morpholine-4-carbaldehyde 278.7
    sulfolane 321.44
    2,2,4-trimethylpentane 19.28
    2-methyltetrahydrofuran 376.03
    n-hexyl acetate 190.08
    isooctane 13.97
    2-(2-butoxyethoxy)ethanol 151.98
    sec-butyl acetate 103.13
    tert-butyl acetate 105.86
    decalin 38.0
    glycerin 27.67
    diglyme 316.36
    acrylic acid 96.23
    isopropyl myristate 84.52
    n-butyric acid 172.49
    acetyl acetate 134.78
    di(2-ethylhexyl) phthalate 75.78
    ethyl propionate 157.4
    nitromethane 260.36
    1,2-diethoxyethane 253.13
    benzonitrile 217.12
    trioctyl phosphate 61.93
    1-bromopropane 303.55
    gamma-valerolactone 397.32
    n-decanol 73.39
    triethyl phosphate 88.62
    4-methyl-2-pentanol 50.82
    propionitrile 217.39
    vinylene carbonate 272.76
    1,1,2-trichlorotrifluoroethane 155.17
    DMS 138.08
    cumene 93.1
    2-octanol 75.45
    2-hexanone 184.73
    octyl acetate 108.96
    limonene 141.08
    1,2-dimethoxyethane 349.22
    ethyl orthosilicate 86.14
    tributyl phosphate 80.64
    diacetone alcohol 96.57
    N,N-dimethylaniline 126.58
    acrylonitrile 246.18
    aniline 150.83
    1,3-propanediol 77.34
    bromobenzene 282.69
    dibromomethane 646.56
    1,1,2,2-tetrachloroethane 452.12
    2-methyl-cyclohexyl acetate 140.98
    tetrabutyl urea 102.54
    diisobutyl methanol 73.18
    2-phenylethanol 149.74
    styrene 150.53
    dioctyl adipate 114.12
    dimethyl sulfate 105.11
    ethyl butyrate 215.34
    methyl lactate 53.79
    butyl lactate 90.04
    diethyl carbonate 151.96
    propanediol butyl ether 87.29
    triethyl orthoformate 130.48
    p-tert-butyltoluene 91.06
    methyl 4-tert-butylbenzoate 128.44
    morpholine 346.09
    tert-butylamine 80.78
    n-dodecanol 60.8
    dimethoxymethane 263.58
    ethylene carbonate 230.9
    cyrene 108.38
    2-ethoxyethyl acetate 176.21
    2-ethylhexyl acetate 196.92
    1,2,4-trichlorobenzene 201.84
    4-methylpyridine 355.69
    dibutyl ether 188.26
    2,6-dimethyl-4-heptanol 73.18
    DEF 224.53
    dimethyl isosorbide 211.45
    tetrachloroethylene 348.48
    eugenol 121.59
    triacetin 127.98
    span 80 97.22
    1,4-butanediol 41.77
    1,1-dichloroethane 376.89
    2-methyl-1-pentanol 107.12
    methyl formate 202.5
    2-methyl-1-butanol 104.0
    n-decane 40.61
    butyronitrile 246.02
    3,7-dimethyl-1-octanol 85.98
    1-chlorooctane 114.76
    1-chlorotetradecane 47.58
    n-nonane 42.89
    undecane 29.86
    tert-butylcyclohexane 31.54
    cyclooctane 32.01
    cyclopentanol 149.26
    tetrahydropyran 404.57
    tert-amyl methyl ether 103.21
    2,5,8-trioxanonane 199.75
    1-hexene 149.56
    2-isopropoxyethanol 97.7
    2,2,2-trifluoroethanol 58.4
    methyl butyrate 215.73

    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