2-Methyl-5,6,7,8-tetrahydroquinoxaline

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  • Identifiers

    CAS number
    38917-65-6

    Molecular formula
    C9H12N2

    SMILES
    CC1=CN=C2CCCCC2=N1

    Safety labels

  • Odor profile

    Fragrance
    Roasted 83.0%
    Nutty 80.62%
    Earthy 61.2%
    Hazelnut 55.46%
    Coffee 54.93%
    Musty 54.84%
    Burnt 51.39%
    Cocoa 49.05%
    Potato 47.11%
    Popcorn 46.17%

     

    Flavor
    Roasted 59.01%
    Earthy 46.61%
    Musty 45.36%
    Coffee 43.89%
    Nutty 42.95%
    Potato 41.29%
    Roast 41.27%
    Corn 38.49%
    Nut 38.38%
    Peanut 34.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.66 (weak acid)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 104.84 ˚C est.

  • Synonyms

    • 2-Methyl-5,6,7,8-tetrahydroquinoxaline
    • 38917-65-6
    • DTXSID00343565
    • RefChem:263470
    • DTXCID00294644
    • JSAHYTOSTYPFIJ-UHFFFAOYSA-N
    • 2-Methyl-5,6,7,8-tetrahydrochinoxalin
    • SCHEMBL2409654
    • SCHEMBL4136883
    • SCHEMBL4136886
    • SCHEMBL29393274
    • NS00113892
    • 38917-65-6

  • Applications

    2-Methyl-5,6,7,8-tetrahydroquinoxaline (CAS 38917-65-6) is primarily used as an intermediate and building block in pharmaceutical research and medicinal chemistry, where the tetrahydroquinoxaline core is functionalized to access diverse heterocyclic compounds. It serves as a precursor for the synthesis of more complex derivatives and libraries of compounds for structure-activity studies. In chemical manufacturing, it is handled as an advanced intermediate for specialty and fine chemicals, enabling downstream transformations to reach target molecules. It may also be employed in R&D laboratories for exploratory synthesis of heterocyclic compounds and as a scaffold in ligand design for catalysis or materials research, subject to applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.38
    methanol 146.2
    isopropanol 99.7
    water 1.11
    ethyl acetate 234.49
    n-propanol 124.97
    acetone 312.86
    n-butanol 125.59
    acetonitrile 247.85
    DMF 458.79
    toluene 266.18
    isobutanol 114.67
    1,4-dioxane 375.59
    methyl acetate 249.93
    THF 490.36
    2-butanone 283.85
    n-pentanol 111.47
    sec-butanol 113.22
    n-hexane 50.55
    ethylene glycol 38.19
    NMP 528.26
    cyclohexane 102.08
    DMSO 374.66
    n-butyl acetate 336.37
    n-octanol 136.26
    chloroform 1317.59
    n-propyl acetate 195.12
    acetic acid 182.73
    dichloromethane 1336.27
    cyclohexanone 498.46
    propylene glycol 47.53
    isopropyl acetate 145.79
    DMAc 377.81
    2-ethoxyethanol 141.52
    isopentanol 116.13
    n-heptane 78.01
    ethyl formate 253.59
    1,2-dichloroethane 636.49
    n-hexanol 172.78
    2-methoxyethanol 195.71
    isobutyl acetate 138.34
    tetrachloromethane 284.32
    n-pentyl acetate 202.88
    transcutol 436.95
    n-heptanol 119.79
    ethylbenzene 166.73
    MIBK 143.89
    2-propoxyethanol 212.28
    tert-butanol 109.39
    MTBE 141.53
    2-butoxyethanol 162.7
    propionic acid 183.77
    o-xylene 200.32
    formic acid 56.48
    diethyl ether 170.76
    m-xylene 194.99
    p-xylene 237.35
    chlorobenzene 459.58
    dimethyl carbonate 130.48
    n-octane 43.74
    formamide 85.9
    cyclopentanone 545.17
    2-pentanone 215.16
    anisole 221.3
    cyclopentyl methyl ether 257.19
    gamma-butyrolactone 639.12
    1-methoxy-2-propanol 143.73
    pyridine 541.91
    3-pentanone 224.26
    furfural 640.62
    n-dodecane 36.99
    diethylene glycol 140.81
    diisopropyl ether 74.55
    tert-amyl alcohol 119.66
    acetylacetone 269.8
    n-hexadecane 42.34
    acetophenone 243.54
    methyl propionate 216.62
    isopentyl acetate 248.2
    trichloroethylene 1228.11
    n-nonanol 117.93
    cyclohexanol 159.31
    benzyl alcohol 178.86
    2-ethylhexanol 150.71
    isooctanol 99.54
    dipropyl ether 201.16
    1,2-dichlorobenzene 454.78
    ethyl lactate 106.59
    propylene carbonate 419.98
    n-methylformamide 216.93
    2-pentanol 87.92
    n-pentane 48.03
    1-propoxy-2-propanol 174.04
    1-methoxy-2-propyl acetate 207.93
    2-(2-methoxypropoxy) propanol 164.36
    mesitylene 138.57
    ε-caprolactone 391.01
    p-cymene 159.49
    epichlorohydrin 617.62
    1,1,1-trichloroethane 609.69
    2-aminoethanol 63.93
    morpholine-4-carbaldehyde 442.26
    sulfolane 664.67
    2,2,4-trimethylpentane 34.44
    2-methyltetrahydrofuran 359.1
    n-hexyl acetate 262.51
    isooctane 24.68
    2-(2-butoxyethoxy)ethanol 196.39
    sec-butyl acetate 126.95
    tert-butyl acetate 145.24
    decalin 60.6
    glycerin 69.56
    diglyme 397.6
    acrylic acid 189.43
    isopropyl myristate 130.28
    n-butyric acid 216.53
    acetyl acetate 178.91
    di(2-ethylhexyl) phthalate 130.45
    ethyl propionate 179.15
    nitromethane 345.45
    1,2-diethoxyethane 250.14
    benzonitrile 382.46
    trioctyl phosphate 96.91
    1-bromopropane 360.07
    gamma-valerolactone 542.81
    n-decanol 97.72
    triethyl phosphate 128.66
    4-methyl-2-pentanol 63.09
    propionitrile 235.23
    vinylene carbonate 455.7
    1,1,2-trichlorotrifluoroethane 354.35
    DMS 225.86
    cumene 128.65
    2-octanol 96.28
    2-hexanone 206.54
    octyl acetate 160.15
    limonene 199.34
    1,2-dimethoxyethane 313.57
    ethyl orthosilicate 116.12
    tributyl phosphate 122.82
    diacetone alcohol 138.74
    N,N-dimethylaniline 179.61
    acrylonitrile 321.5
    aniline 217.23
    1,3-propanediol 98.31
    bromobenzene 572.15
    dibromomethane 835.88
    1,1,2,2-tetrachloroethane 862.04
    2-methyl-cyclohexyl acetate 191.22
    tetrabutyl urea 160.91
    diisobutyl methanol 93.26
    2-phenylethanol 207.98
    styrene 201.85
    dioctyl adipate 176.44
    dimethyl sulfate 218.16
    ethyl butyrate 239.9
    methyl lactate 107.9
    butyl lactate 143.72
    diethyl carbonate 183.22
    propanediol butyl ether 141.98
    triethyl orthoformate 154.55
    p-tert-butyltoluene 135.38
    methyl 4-tert-butylbenzoate 206.38
    morpholine 308.43
    tert-butylamine 89.74
    n-dodecanol 83.86
    dimethoxymethane 246.95
    ethylene carbonate 354.21
    cyrene 171.65
    2-ethoxyethyl acetate 237.87
    2-ethylhexyl acetate 228.36
    1,2,4-trichlorobenzene 487.23
    4-methylpyridine 478.34
    dibutyl ether 213.59
    2,6-dimethyl-4-heptanol 93.26
    DEF 279.95
    dimethyl isosorbide 313.89
    tetrachloroethylene 644.02
    eugenol 194.63
    triacetin 233.68
    span 80 165.77
    1,4-butanediol 61.36
    1,1-dichloroethane 559.57
    2-methyl-1-pentanol 114.0
    methyl formate 244.47
    2-methyl-1-butanol 123.37
    n-decane 56.22
    butyronitrile 253.91
    3,7-dimethyl-1-octanol 125.54
    1-chlorooctane 168.31
    1-chlorotetradecane 78.12
    n-nonane 57.96
    undecane 44.27
    tert-butylcyclohexane 52.47
    cyclooctane 45.58
    cyclopentanol 191.98
    tetrahydropyran 334.82
    tert-amyl methyl ether 132.4
    2,5,8-trioxanonane 280.08
    1-hexene 128.34
    2-isopropoxyethanol 112.18
    2,2,2-trifluoroethanol 96.19
    methyl butyrate 247.54

    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