2-Methylquinoxaline

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  • Identifiers

    CAS number
    7251-61-8

    Molecular formula
    C9H8N2

    SMILES
    CC1=NC2=CC=CC=C2N=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 73.99%
    Nutty 65.69%
    Fruity 57.43%
    Burnt 54.85%
    Coffee 54.54%
    Hazelnut 47.96%
    Musty 44.59%
    Earthy 43.5%
    Meaty 40.14%
    Potato 35.8%

     

    Flavor
    Nutty 63.04%
    Coffee 59.72%
    Roasted 57.09%
    Cocoa 52.83%
    Corn 43.86%
    Musty 42.69%
    Peanut 42.04%
    Roast 40.93%
    Hazelnut 38.18%
    Popcorn 37.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    3.08 (weak acid)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 109.21 ˚C est.

  • Synonyms

    • 2-METHYLQUINOXALINE
    • 7251-61-8
    • Quinoxaline, 2-methyl-
    • NSC 65587
    • CCRIS 2948
    • EINECS 230-664-9
    • UNII-03VU31MV6J
    • MFCD00006727
    • 2-methyl-quinoxaline
    • BRN 0113307
    • 03VU31MV6J
    • AI3-50958
    • NSC-65587
    • 2-methyl-1,4-naphthyridine
    • CHEBI:132812
    • DTXSID50222831
    • 5-23-07-00219 (Beilstein Handbook Reference)
    • 2-Methyl quinoxaline
    • methyl-quinoxaline
    • 2-methyl chinoxaline
    • 2-Methylquinoxaline, 97%
    • NCIOpen2_000305
    • SCHEMBL28571
    • 2-Methylquinoxaline, >=97%
    • CHEMBL3287983
    • DTXCID80145322
    • NSC65587
    • STL451646
    • AKOS015842561
    • CS-W016388
    • AS-57153
    • SY031444
    • DB-013500
    • M0580
    • NS00022728
    • EN300-120446
    • doi:10.14272/ALHUXMDEZNLFTA-UHFFFAOYSA-N.2
    • Q27225675
    • Z1255423472
    • 230-664-9

  • Applications

    2-Methylquinoxaline (CAS 7251-61-8) is a compact aromatic heterocycle widely employed as a synthetic precursor for antibacterial, anticancer and kinase-inhibiting pharmaceuticals, an intermediate for pesticides, herbicides and insecticides, a structural element in fluorescent dyes, organic emitters for OLEDs and other organic semiconductors, a building block for bio-fluorescent probes, a chelating ligand in coordination chemistry to modulate metal-catalyzed reactivity, a GC/MS analytical standard for tracing pyrazine impurities in food, and a platform molecule for designing electrochemical sensors due to its robust redox behavior, thereby extending its utility across pharmaceutical, agricultural, materials and analytical research domains.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.18
    methanol 94.57
    isopropanol 77.74
    water 1.08
    ethyl acetate 243.13
    n-propanol 98.61
    acetone 336.71
    n-butanol 94.23
    acetonitrile 228.6
    DMF 437.56
    toluene 180.11
    isobutanol 78.78
    1,4-dioxane 355.74
    methyl acetate 233.55
    THF 485.8
    2-butanone 245.05
    n-pentanol 79.89
    sec-butanol 81.95
    n-hexane 48.33
    ethylene glycol 26.52
    NMP 347.93
    cyclohexane 69.2
    DMSO 376.94
    n-butyl acetate 280.54
    n-octanol 106.77
    chloroform 661.17
    n-propyl acetate 190.02
    acetic acid 123.72
    dichloromethane 916.3
    cyclohexanone 355.04
    propylene glycol 23.68
    isopropyl acetate 126.51
    DMAc 303.59
    2-ethoxyethanol 113.49
    isopentanol 76.52
    n-heptane 83.46
    ethyl formate 244.44
    1,2-dichloroethane 509.56
    n-hexanol 136.99
    2-methoxyethanol 153.83
    isobutyl acetate 117.55
    tetrachloromethane 122.26
    n-pentyl acetate 152.91
    transcutol 294.5
    n-heptanol 86.03
    ethylbenzene 127.72
    MIBK 112.71
    2-propoxyethanol 166.4
    tert-butanol 84.76
    MTBE 103.62
    2-butoxyethanol 116.02
    propionic acid 118.11
    o-xylene 132.98
    formic acid 30.02
    diethyl ether 197.84
    m-xylene 126.49
    p-xylene 170.73
    chlorobenzene 225.64
    dimethyl carbonate 121.91
    n-octane 40.09
    formamide 69.41
    cyclopentanone 432.75
    2-pentanone 202.72
    anisole 160.19
    cyclopentyl methyl ether 233.32
    gamma-butyrolactone 497.02
    1-methoxy-2-propanol 104.71
    pyridine 371.36
    3-pentanone 196.86
    furfural 369.66
    n-dodecane 29.9
    diethylene glycol 98.16
    diisopropyl ether 65.61
    tert-amyl alcohol 79.39
    acetylacetone 225.35
    n-hexadecane 33.76
    acetophenone 166.97
    methyl propionate 215.38
    isopentyl acetate 182.94
    trichloroethylene 763.34
    n-nonanol 92.89
    cyclohexanol 102.68
    benzyl alcohol 106.73
    2-ethylhexanol 116.5
    isooctanol 66.86
    dipropyl ether 225.03
    1,2-dichlorobenzene 207.08
    ethyl lactate 79.91
    propylene carbonate 278.57
    n-methylformamide 198.14
    2-pentanol 66.35
    n-pentane 42.7
    1-propoxy-2-propanol 136.77
    1-methoxy-2-propyl acetate 154.05
    2-(2-methoxypropoxy) propanol 110.36
    mesitylene 78.91
    ε-caprolactone 294.7
    p-cymene 110.34
    epichlorohydrin 488.81
    1,1,1-trichloroethane 355.95
    2-aminoethanol 41.0
    morpholine-4-carbaldehyde 322.79
    sulfolane 440.76
    2,2,4-trimethylpentane 18.74
    2-methyltetrahydrofuran 327.24
    n-hexyl acetate 198.34
    isooctane 13.67
    2-(2-butoxyethoxy)ethanol 143.04
    sec-butyl acetate 105.03
    tert-butyl acetate 106.87
    decalin 39.13
    glycerin 35.51
    diglyme 307.25
    acrylic acid 106.84
    isopropyl myristate 89.49
    n-butyric acid 153.93
    acetyl acetate 144.58
    di(2-ethylhexyl) phthalate 75.42
    ethyl propionate 182.06
    nitromethane 278.82
    1,2-diethoxyethane 227.36
    benzonitrile 199.6
    trioctyl phosphate 65.23
    1-bromopropane 290.48
    gamma-valerolactone 386.53
    n-decanol 76.19
    triethyl phosphate 94.47
    4-methyl-2-pentanol 42.97
    propionitrile 201.61
    vinylene carbonate 285.12
    1,1,2-trichlorotrifluoroethane 170.52
    DMS 162.79
    cumene 90.58
    2-octanol 72.84
    2-hexanone 184.69
    octyl acetate 112.27
    limonene 134.83
    1,2-dimethoxyethane 331.77
    ethyl orthosilicate 85.87
    tributyl phosphate 81.03
    diacetone alcohol 96.75
    N,N-dimethylaniline 129.08
    acrylonitrile 244.9
    aniline 127.43
    1,3-propanediol 66.28
    bromobenzene 266.8
    dibromomethane 594.22
    1,1,2,2-tetrachloroethane 475.08
    2-methyl-cyclohexyl acetate 128.91
    tetrabutyl urea 111.06
    diisobutyl methanol 68.63
    2-phenylethanol 127.69
    styrene 141.13
    dioctyl adipate 119.77
    dimethyl sulfate 163.64
    ethyl butyrate 219.8
    methyl lactate 72.44
    butyl lactate 92.26
    diethyl carbonate 159.68
    propanediol butyl ether 87.41
    triethyl orthoformate 127.93
    p-tert-butyltoluene 92.19
    methyl 4-tert-butylbenzoate 135.49
    morpholine 287.09
    tert-butylamine 63.42
    n-dodecanol 66.31
    dimethoxymethane 271.32
    ethylene carbonate 243.35
    cyrene 111.87
    2-ethoxyethyl acetate 176.57
    2-ethylhexyl acetate 167.98
    1,2,4-trichlorobenzene 213.08
    4-methylpyridine 311.61
    dibutyl ether 188.45
    2,6-dimethyl-4-heptanol 68.63
    DEF 259.77
    dimethyl isosorbide 203.84
    tetrachloroethylene 356.25
    eugenol 126.18
    triacetin 150.56
    span 80 96.88
    1,4-butanediol 39.89
    1,1-dichloroethane 394.23
    2-methyl-1-pentanol 74.71
    methyl formate 219.88
    2-methyl-1-butanol 76.8
    n-decane 47.41
    butyronitrile 205.29
    3,7-dimethyl-1-octanol 84.0
    1-chlorooctane 122.45
    1-chlorotetradecane 54.26
    n-nonane 51.12
    undecane 36.83
    tert-butylcyclohexane 33.16
    cyclooctane 30.54
    cyclopentanol 132.27
    tetrahydropyran 325.0
    tert-amyl methyl ether 97.69
    2,5,8-trioxanonane 206.5
    1-hexene 125.61
    2-isopropoxyethanol 88.97
    2,2,2-trifluoroethanol 63.8
    methyl butyrate 239.5

    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