6-Methylquinoxaline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6344-72-5

    Molecular formula
    C9H8N2

    SMILES
    CC1=CC2=NC=CN=C2C=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 60.24%
    Roasted 57.63%
    Animal 49.7%
    Musty 47.71%
    Burnt 46.73%
    Earthy 46.63%
    Coffee 41.16%
    Hazelnut 39.23%
    Tobacco 36.06%
    Sweet 35.33%

     

    Flavor
    Nutty 60.7%
    Coffee 55.1%
    Roasted 54.4%
    Cocoa 46.02%
    Corn 43.68%
    Musty 39.85%
    Peanut 38.38%
    Roast 37.79%
    Burnt 35.68%
    Hazelnut 35.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    3.59 (weak acid)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 119.51 ˚C est.

  • Synonyms

    • 6-Methylquinoxaline
    • Quinoxaline, 6-methyl-
    • DTXSID00287490
    • RefChem:105059
    • DTXCID90238638
    • InChI=1/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H
    • OSRARURJYPOUOV-UHFFFAOYSA-N
    • 6344-72-5
    • MFCD00041001
    • 6-methyl-quinoxaline
    • NSC-51327
    • NSC51327
    • BB3L9MN4UQ
    • SCHEMBL27448
    • SCHEMBL27449
    • orb3030554
    • SCHEMBL1100502
    • SCHEMBL2300942
    • SCHEMBL2305037
    • CHEMBL1885120
    • SCHEMBL30178501
    • CHEBI:194888
    • SBB086354
    • AKOS005206833
    • NCGC00184266-01
    • NCGC00184266-02
    • NCGC00184266-03
    • AC-11357
    • SY017397
    • TS-01886
    • DB-001001
    • CS-0019265
    • ST50823918
    • EN300-266401
    • 344M725
    • F002740
    • KXC
    • 6344-72-5

  • Applications

    6-Methylquinoxaline (CAS 6344-72-5) is commonly used as an organic synthesis intermediate and building block for quinoxaline-containing compounds in pharmaceutical and agrochemical development. It serves as a precursor to more complex heterocyclic targets, enabling the preparation of diverse drugs and lead compounds. The compound is also utilized as a starting point for the synthesis of specialty dyes and fluorescent materials, supporting dye and pigment applications. In materials science, 6-Methylquinoxaline is explored as a scaffold for organic electronic materials, including small-molecule semiconductors and OLED-related research. It also functions as a research reagent for heterocyclic library generation, assisting lead discovery and methodology development in academic and industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.82
    methanol 15.44
    isopropanol 19.3
    water 0.35
    ethyl acetate 40.48
    n-propanol 26.86
    acetone 53.71
    n-butanol 23.68
    acetonitrile 41.28
    DMF 136.11
    toluene 40.46
    isobutanol 23.44
    1,4-dioxane 76.89
    methyl acetate 43.02
    THF 113.72
    2-butanone 49.52
    n-pentanol 23.34
    sec-butanol 19.3
    n-hexane 5.07
    ethylene glycol 7.41
    NMP 95.81
    cyclohexane 9.33
    DMSO 115.01
    n-butyl acetate 62.35
    n-octanol 23.91
    chloroform 157.21
    n-propyl acetate 36.97
    acetic acid 32.36
    dichloromethane 214.74
    cyclohexanone 94.32
    propylene glycol 6.57
    isopropyl acetate 22.76
    DMAc 95.42
    2-ethoxyethanol 30.76
    isopentanol 22.28
    n-heptane 15.77
    ethyl formate 53.52
    1,2-dichloroethane 118.87
    n-hexanol 48.99
    2-methoxyethanol 46.08
    isobutyl acetate 27.68
    tetrachloromethane 28.94
    n-pentyl acetate 34.31
    transcutol 101.59
    n-heptanol 26.78
    ethylbenzene 29.45
    MIBK 26.81
    2-propoxyethanol 59.56
    tert-butanol 25.44
    MTBE 18.64
    2-butoxyethanol 40.42
    propionic acid 28.6
    o-xylene 33.93
    formic acid 9.38
    diethyl ether 24.41
    m-xylene 31.0
    p-xylene 42.72
    chlorobenzene 59.37
    dimethyl carbonate 23.56
    n-octane 6.52
    formamide 20.62
    cyclopentanone 102.79
    2-pentanone 37.37
    anisole 40.43
    cyclopentyl methyl ether 50.06
    gamma-butyrolactone 123.58
    1-methoxy-2-propanol 31.81
    pyridine 103.32
    3-pentanone 36.89
    furfural 122.71
    n-dodecane 5.27
    diethylene glycol 37.66
    diisopropyl ether 9.95
    tert-amyl alcohol 21.27
    acetylacetone 45.09
    n-hexadecane 6.0
    acetophenone 46.08
    methyl propionate 40.29
    isopentyl acetate 46.33
    trichloroethylene 189.95
    n-nonanol 23.05
    cyclohexanol 28.12
    benzyl alcohol 34.83
    2-ethylhexanol 39.37
    isooctanol 21.66
    dipropyl ether 49.96
    1,2-dichlorobenzene 57.27
    ethyl lactate 20.41
    propylene carbonate 71.22
    n-methylformamide 54.49
    2-pentanol 14.83
    n-pentane 4.45
    1-propoxy-2-propanol 45.5
    1-methoxy-2-propyl acetate 42.32
    2-(2-methoxypropoxy) propanol 39.75
    mesitylene 19.66
    ε-caprolactone 73.52
    p-cymene 32.89
    epichlorohydrin 127.69
    1,1,1-trichloroethane 80.93
    2-aminoethanol 13.81
    morpholine-4-carbaldehyde 93.69
    sulfolane 115.18
    2,2,4-trimethylpentane 3.43
    2-methyltetrahydrofuran 70.94
    n-hexyl acetate 39.92
    isooctane 2.56
    2-(2-butoxyethoxy)ethanol 47.72
    sec-butyl acetate 21.51
    tert-butyl acetate 23.84
    decalin 7.49
    glycerin 12.39
    diglyme 97.95
    acrylic acid 27.48
    isopropyl myristate 20.91
    n-butyric acid 39.47
    acetyl acetate 26.38
    di(2-ethylhexyl) phthalate 24.53
    ethyl propionate 34.29
    nitromethane 61.98
    1,2-diethoxyethane 50.2
    benzonitrile 59.67
    trioctyl phosphate 19.11
    1-bromopropane 58.27
    gamma-valerolactone 110.69
    n-decanol 20.12
    triethyl phosphate 27.4
    4-methyl-2-pentanol 12.65
    propionitrile 47.41
    vinylene carbonate 76.49
    1,1,2-trichlorotrifluoroethane 59.03
    DMS 37.68
    cumene 25.16
    2-octanol 17.54
    2-hexanone 38.35
    octyl acetate 26.38
    limonene 39.56
    1,2-dimethoxyethane 80.6
    ethyl orthosilicate 25.56
    tributyl phosphate 22.15
    diacetone alcohol 31.31
    N,N-dimethylaniline 39.64
    acrylonitrile 60.95
    aniline 37.51
    1,3-propanediol 20.45
    bromobenzene 65.38
    dibromomethane 131.59
    1,1,2,2-tetrachloroethane 123.1
    2-methyl-cyclohexyl acetate 40.74
    tetrabutyl urea 32.63
    diisobutyl methanol 22.45
    2-phenylethanol 47.83
    styrene 30.48
    dioctyl adipate 31.74
    dimethyl sulfate 39.08
    ethyl butyrate 48.1
    methyl lactate 17.61
    butyl lactate 26.4
    diethyl carbonate 37.56
    propanediol butyl ether 25.53
    triethyl orthoformate 34.21
    p-tert-butyltoluene 26.62
    methyl 4-tert-butylbenzoate 44.97
    morpholine 70.72
    tert-butylamine 17.89
    n-dodecanol 17.89
    dimethoxymethane 60.26
    ethylene carbonate 61.65
    cyrene 42.01
    2-ethoxyethyl acetate 43.63
    2-ethylhexyl acetate 41.67
    1,2,4-trichlorobenzene 61.56
    4-methylpyridine 87.47
    dibutyl ether 35.81
    2,6-dimethyl-4-heptanol 22.45
    DEF 56.71
    dimethyl isosorbide 73.3
    tetrachloroethylene 90.21
    eugenol 44.05
    triacetin 37.21
    span 80 32.9
    1,4-butanediol 11.92
    1,1-dichloroethane 86.31
    2-methyl-1-pentanol 23.99
    methyl formate 51.64
    2-methyl-1-butanol 21.42
    n-decane 7.93
    butyronitrile 47.34
    3,7-dimethyl-1-octanol 23.75
    1-chlorooctane 25.5
    1-chlorotetradecane 12.75
    n-nonane 7.55
    undecane 6.37
    tert-butylcyclohexane 6.88
    cyclooctane 4.09
    cyclopentanol 35.21
    tetrahydropyran 66.48
    tert-amyl methyl ether 18.94
    2,5,8-trioxanonane 73.3
    1-hexene 20.55
    2-isopropoxyethanol 27.14
    2,2,2-trifluoroethanol 18.73
    methyl butyrate 49.12

    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