2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline

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  • Identifiers

    CAS number
    7739-04-0

    Molecular formula
    C10H14N2

    SMILES
    CC1C(NC2=CC=CC=C2N1)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Roasted 58.55%
    Nutty 52.22%
    Meaty 48.61%
    Burnt 43.57%
    Odorless 35.63%
    Fishy 33.23%
    Popcorn 32.56%
    Cooked 29.01%
    Coffee 27.88%
    Earthy 27.47%

     

    Flavor
    Bitter 52.22%
    Fruity 29.09%
    Roasted 23.5%
    Alkaline 22.47%
    Animal 21.77%
    Very strong 21.69%
    Cereal 21.56%
    Indole 21.41%
    Moth ball 20.94%
    Shrimp 20.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.04 (weak acid)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 133.25 ˚C est.

  • Synonyms

    • 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline
    • 7739-04-0
    • DTXSID90998604
    • RefChem:1059455
    • DTXCID401425590
    • 13311-77-8
    • Quinoxaline, 1,2,3,4-tetrahydro-2,3-dimethyl-
    • MFCD13704502
    • 1,2,3,4-Tetrahydro-2,3-dimethylquinoxaline
    • NSC114128
    • 2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
    • SCHEMBL6587899
    • SCHEMBL30570964
    • JKMHQZSBOQTMRG-UHFFFAOYSA-N
    • ALBB-024595
    • AKOS015998266
    • CCG-356423
    • NSC-114128
    • AS-85564
    • ST087983
    • SY462900
    • DS-003502
    • CS-0122519
    • 2,3-dimethyl-1,2,3,4-tetrahydro-quinoxaline
    • F74056
    • 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline #
    • F607761
    • 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline, 97%
    • 13311-77-8

  • Applications

    2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline (CAS 7739-04-0) is primarily used as an organic synthesis intermediate and heterocyclic scaffold in medicinal chemistry; it serves as a building block to access more complex heterocycles and to generate libraries of derivatives for screening; in research and development it supports structure-activity studies and the design of related tetrahydroquinoxaline-based compounds; in materials science it may be explored as a saturated heterocyclic unit for novel polymers, coatings, or dye/pigment precursors to tune properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.73
    methanol 31.65
    isopropanol 22.42
    water 0.44
    ethyl acetate 45.07
    n-propanol 31.13
    acetone 89.72
    n-butanol 30.39
    acetonitrile 51.82
    DMF 151.22
    toluene 33.14
    isobutanol 26.6
    1,4-dioxane 117.21
    methyl acetate 60.56
    THF 210.53
    2-butanone 80.0
    n-pentanol 27.23
    sec-butanol 23.98
    n-hexane 5.26
    ethylene glycol 8.87
    NMP 180.09
    cyclohexane 10.76
    DMSO 148.09
    n-butyl acetate 63.7
    n-octanol 31.78
    chloroform 210.83
    n-propyl acetate 41.24
    acetic acid 48.27
    dichloromethane 202.8
    cyclohexanone 129.21
    propylene glycol 14.6
    isopropyl acetate 28.37
    DMAc 151.04
    2-ethoxyethanol 37.14
    isopentanol 26.38
    n-heptane 10.34
    ethyl formate 58.47
    1,2-dichloroethane 97.56
    n-hexanol 43.78
    2-methoxyethanol 52.78
    isobutyl acetate 32.43
    tetrachloromethane 35.48
    n-pentyl acetate 42.17
    transcutol 87.67
    n-heptanol 31.15
    ethylbenzene 22.23
    MIBK 32.13
    2-propoxyethanol 60.74
    tert-butanol 28.64
    MTBE 29.63
    2-butoxyethanol 43.57
    propionic acid 45.78
    o-xylene 28.11
    formic acid 12.79
    diethyl ether 32.19
    m-xylene 23.84
    p-xylene 33.8
    chlorobenzene 65.14
    dimethyl carbonate 31.48
    n-octane 6.48
    formamide 22.9
    cyclopentanone 206.64
    2-pentanone 53.74
    anisole 39.09
    cyclopentyl methyl ether 67.01
    gamma-butyrolactone 206.94
    1-methoxy-2-propanol 41.79
    pyridine 103.59
    3-pentanone 55.33
    furfural 156.25
    n-dodecane 6.02
    diethylene glycol 40.74
    diisopropyl ether 12.73
    tert-amyl alcohol 26.81
    acetylacetone 64.46
    n-hexadecane 6.88
    acetophenone 50.38
    methyl propionate 50.85
    isopentyl acetate 51.4
    trichloroethylene 193.44
    n-nonanol 30.15
    cyclohexanol 34.71
    benzyl alcohol 36.57
    2-ethylhexanol 34.87
    isooctanol 24.82
    dipropyl ether 42.91
    1,2-dichlorobenzene 61.42
    ethyl lactate 29.2
    propylene carbonate 110.5
    n-methylformamide 59.2
    2-pentanol 19.34
    n-pentane 4.84
    1-propoxy-2-propanol 49.48
    1-methoxy-2-propyl acetate 54.65
    2-(2-methoxypropoxy) propanol 46.35
    mesitylene 17.04
    ε-caprolactone 95.73
    p-cymene 26.6
    epichlorohydrin 154.21
    1,1,1-trichloroethane 89.36
    2-aminoethanol 16.85
    morpholine-4-carbaldehyde 130.01
    sulfolane 245.62
    2,2,4-trimethylpentane 4.37
    2-methyltetrahydrofuran 106.38
    n-hexyl acetate 52.19
    isooctane 3.16
    2-(2-butoxyethoxy)ethanol 54.63
    sec-butyl acetate 25.64
    tert-butyl acetate 32.48
    decalin 7.52
    glycerin 22.46
    diglyme 100.4
    acrylic acid 45.55
    isopropyl myristate 27.41
    n-butyric acid 53.73
    acetyl acetate 38.62
    di(2-ethylhexyl) phthalate 33.14
    ethyl propionate 35.35
    nitromethane 99.86
    1,2-diethoxyethane 54.04
    benzonitrile 58.3
    trioctyl phosphate 26.7
    1-bromopropane 51.01
    gamma-valerolactone 173.19
    n-decanol 25.76
    triethyl phosphate 32.63
    4-methyl-2-pentanol 15.17
    propionitrile 46.11
    vinylene carbonate 98.46
    1,1,2-trichlorotrifluoroethane 93.84
    DMS 49.66
    cumene 19.3
    2-octanol 22.9
    2-hexanone 49.04
    octyl acetate 36.24
    limonene 35.48
    1,2-dimethoxyethane 77.6
    ethyl orthosilicate 29.44
    tributyl phosphate 30.67
    diacetone alcohol 39.78
    N,N-dimethylaniline 32.88
    acrylonitrile 62.25
    aniline 40.01
    1,3-propanediol 25.09
    bromobenzene 69.59
    dibromomethane 123.86
    1,1,2,2-tetrachloroethane 142.5
    2-methyl-cyclohexyl acetate 47.93
    tetrabutyl urea 41.75
    diisobutyl methanol 22.45
    2-phenylethanol 45.74
    styrene 26.14
    dioctyl adipate 38.68
    dimethyl sulfate 60.96
    ethyl butyrate 47.31
    methyl lactate 32.89
    butyl lactate 36.72
    diethyl carbonate 35.25
    propanediol butyl ether 36.13
    triethyl orthoformate 39.0
    p-tert-butyltoluene 24.05
    methyl 4-tert-butylbenzoate 51.96
    morpholine 93.08
    tert-butylamine 19.17
    n-dodecanol 21.75
    dimethoxymethane 66.03
    ethylene carbonate 83.26
    cyrene 60.45
    2-ethoxyethyl acetate 53.64
    2-ethylhexyl acetate 48.58
    1,2,4-trichlorobenzene 72.2
    4-methylpyridine 82.77
    dibutyl ether 37.68
    2,6-dimethyl-4-heptanol 22.45
    DEF 66.66
    dimethyl isosorbide 96.51
    tetrachloroethylene 94.45
    eugenol 47.06
    triacetin 57.78
    span 80 48.41
    1,4-butanediol 16.38
    1,1-dichloroethane 84.49
    2-methyl-1-pentanol 26.73
    methyl formate 61.27
    2-methyl-1-butanol 27.22
    n-decane 9.46
    butyronitrile 48.58
    3,7-dimethyl-1-octanol 28.35
    1-chlorooctane 28.95
    1-chlorotetradecane 13.51
    n-nonane 8.72
    undecane 7.36
    tert-butylcyclohexane 7.1
    cyclooctane 4.8
    cyclopentanol 50.92
    tetrahydropyran 90.41
    tert-amyl methyl ether 27.19
    2,5,8-trioxanonane 79.95
    1-hexene 17.48
    2-isopropoxyethanol 30.78
    2,2,2-trifluoroethanol 27.97
    methyl butyrate 50.84

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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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