5,6,7,8-Tetrahydroquinoxaline

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  • Identifiers

    CAS number
    34413-35-9

    Molecular formula
    C8H10N2

    SMILES
    C1CCC2=NC=CN=C2C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 85.23%
    Roasted 83.87%
    Musty 64.86%
    Earthy 63.92%
    Popcorn 54.53%
    Hazelnut 52.82%
    Coffee 52.79%
    Potato 48.72%
    Burnt 47.11%
    Cocoa 45.28%

     

    Flavor
    Roasted 68.3%
    Nut 50.34%
    Musty 49.95%
    Corn 47.22%
    Roast 43.53%
    Nutty 43.22%
    Earthy 42.22%
    Coffee 41.72%
    Chip 37.91%
    Peanut 37.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.07 (weak acid)

    Molecular weight
    134.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 29 - 30 °C

    Boiling point

    • 108.00 to 111.00 °C. @ 760.00 mm Hg

    Flash point

    • 109.82 ˚C est.

    Solubility expt.

    • slightly
    • Sparingly soluble in water; soluble in vegetable oils, propylene glycol and DMSO
    • Soluble (in ethanol)

  • Synonyms

    • 5,6,7,8-TETRAHYDROQUINOXALINE
    • 34413-35-9
    • Cyclohexapyrazine
    • Quinoxaline, 5,6,7,8-tetrahydro-
    • FEMA No. 3321
    • Lucel
    • 5,6,7,8-tetrahydro-quinoxaline
    • EINECS 252-002-8
    • UNII-M153CJ9RA0
    • MFCD00038078
    • M153CJ9RA0
    • DTXSID4047678
    • DTXCID2027678
    • FEMA 3321
    • TETRAHYDRO TERRAZINE 014
    • 5,6,7,8-TETRAHYDROQUINOXALINE [FHFI]
    • SCHEMBL13444
    • CHEMBL3182352
    • CHEBI:179433
    • Tox21_302592
    • AKOS015900566
    • CS-W022273
    • GS-3073
    • NCGC00256918-01
    • SY020997
    • CAS-34413-35-9
    • DB-003519
    • NS00021126
    • T1403
    • 5,6,7,8-Tetrahydroquinoxaline, >=97%, FG
    • EN300-101616
    • O11321
    • Q21099099
    • Z1255434867
    • 252-002-8

  • Applications

    5,6,7,8-Tetrahydroquinoxaline (CAS 34413-35-9) is a nitrogen-containing bicyclic heterocycle that serves as a valuable intermediate in pharmaceutical synthesis, easily undergoing N-alkylation, acylation and Mannich condensations to deliver novel quinoxaline or tetrahydroquinoxaline derivatives exhibiting antibacterial, antifungal, tyrosine-kinase-inhibiting and neuro-modulating activities; it is also exploited in the development of light-emitting and electronic materials because its partially saturated quinoxaline ring enables fine tuning of HOMO-LUMO levels and hole mobility, thereby enhancing the emission efficiency of OLEDs and fluorescence sensors; in synthetic organic chemistry it functions as a carbonyl-protecting reagent, a heteroaromatic ligand for transition-metal catalysis and a precursor for constructing complex fused rings in drug discovery programs, while its chemical stability and moderate boiling point make 5,6,7,8-Tetrahydroquinoxaline convenient and safe for both laboratory and pilot-scale operations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.25
    methanol 102.41
    isopropanol 47.77
    water 1.52
    ethyl acetate 167.82
    n-propanol 64.53
    acetone 238.89
    n-butanol 63.37
    acetonitrile 183.09
    DMF 361.83
    toluene 160.4
    isobutanol 58.39
    1,4-dioxane 321.57
    methyl acetate 173.0
    THF 381.93
    2-butanone 208.7
    n-pentanol 59.0
    sec-butanol 53.91
    n-hexane 23.95
    ethylene glycol 29.45
    NMP 519.96
    cyclohexane 41.08
    DMSO 341.81
    n-butyl acetate 164.39
    n-octanol 51.15
    chloroform 860.78
    n-propyl acetate 134.03
    acetic acid 159.25
    dichloromethane 904.94
    cyclohexanone 358.37
    propylene glycol 28.16
    isopropyl acetate 104.03
    DMAc 279.98
    2-ethoxyethanol 105.16
    isopentanol 62.07
    n-heptane 26.66
    ethyl formate 171.96
    1,2-dichloroethane 510.96
    n-hexanol 70.39
    2-methoxyethanol 147.0
    isobutyl acetate 92.35
    tetrachloromethane 195.1
    n-pentyl acetate 116.74
    transcutol 352.38
    n-heptanol 49.38
    ethylbenzene 85.97
    MIBK 96.62
    2-propoxyethanol 130.34
    tert-butanol 59.95
    MTBE 82.52
    2-butoxyethanol 97.74
    propionic acid 131.91
    o-xylene 109.81
    formic acid 62.79
    diethyl ether 108.65
    m-xylene 103.92
    p-xylene 124.12
    chlorobenzene 325.29
    dimethyl carbonate 92.42
    n-octane 14.77
    formamide 93.56
    cyclopentanone 474.25
    2-pentanone 148.42
    anisole 136.29
    cyclopentyl methyl ether 189.07
    gamma-butyrolactone 587.05
    1-methoxy-2-propanol 101.86
    pyridine 402.02
    3-pentanone 159.29
    furfural 568.99
    n-dodecane 12.9
    diethylene glycol 104.22
    diisopropyl ether 44.43
    tert-amyl alcohol 61.8
    acetylacetone 202.93
    n-hexadecane 14.8
    acetophenone 158.99
    methyl propionate 154.29
    isopentyl acetate 131.76
    trichloroethylene 962.61
    n-nonanol 47.35
    cyclohexanol 90.56
    benzyl alcohol 114.17
    2-ethylhexanol 63.58
    isooctanol 46.15
    dipropyl ether 96.63
    1,2-dichlorobenzene 318.2
    ethyl lactate 64.84
    propylene carbonate 306.84
    n-methylformamide 191.47
    2-pentanol 46.68
    n-pentane 19.91
    1-propoxy-2-propanol 99.47
    1-methoxy-2-propyl acetate 126.05
    2-(2-methoxypropoxy) propanol 95.46
    mesitylene 72.67
    ε-caprolactone 300.01
    p-cymene 68.07
    epichlorohydrin 539.83
    1,1,1-trichloroethane 451.73
    2-aminoethanol 44.38
    morpholine-4-carbaldehyde 383.71
    sulfolane 703.39
    2,2,4-trimethylpentane 16.99
    2-methyltetrahydrofuran 277.67
    n-hexyl acetate 141.6
    isooctane 11.89
    2-(2-butoxyethoxy)ethanol 120.71
    sec-butyl acetate 82.66
    tert-butyl acetate 104.63
    decalin 30.05
    glycerin 56.19
    diglyme 270.23
    acrylic acid 157.86
    isopropyl myristate 59.95
    n-butyric acid 155.59
    acetyl acetate 135.23
    di(2-ethylhexyl) phthalate 66.6
    ethyl propionate 118.07
    nitromethane 333.84
    1,2-diethoxyethane 158.98
    benzonitrile 239.5
    trioctyl phosphate 47.6
    1-bromopropane 219.5
    gamma-valerolactone 487.51
    n-decanol 37.81
    triethyl phosphate 72.9
    4-methyl-2-pentanol 35.03
    propionitrile 157.97
    vinylene carbonate 326.88
    1,1,2-trichlorotrifluoroethane 304.86
    DMS 147.05
    cumene 67.34
    2-octanol 39.95
    2-hexanone 138.81
    octyl acetate 76.31
    limonene 86.97
    1,2-dimethoxyethane 224.54
    ethyl orthosilicate 67.95
    tributyl phosphate 65.33
    diacetone alcohol 102.5
    N,N-dimethylaniline 106.25
    acrylonitrile 235.82
    aniline 159.61
    1,3-propanediol 65.28
    bromobenzene 383.46
    dibromomethane 564.95
    1,1,2,2-tetrachloroethane 668.88
    2-methyl-cyclohexyl acetate 101.13
    tetrabutyl urea 83.02
    diisobutyl methanol 46.2
    2-phenylethanol 107.33
    styrene 111.06
    dioctyl adipate 86.9
    dimethyl sulfate 184.65
    ethyl butyrate 129.24
    methyl lactate 81.27
    butyl lactate 83.0
    diethyl carbonate 96.68
    propanediol butyl ether 77.85
    triethyl orthoformate 90.8
    p-tert-butyltoluene 61.84
    methyl 4-tert-butylbenzoate 117.28
    morpholine 248.72
    tert-butylamine 46.64
    n-dodecanol 31.97
    dimethoxymethane 177.27
    ethylene carbonate 255.02
    cyrene 116.46
    2-ethoxyethyl acetate 151.15
    2-ethylhexyl acetate 118.58
    1,2,4-trichlorobenzene 358.29
    4-methylpyridine 336.09
    dibutyl ether 91.99
    2,6-dimethyl-4-heptanol 46.2
    DEF 201.45
    dimethyl isosorbide 204.83
    tetrachloroethylene 480.11
    eugenol 112.94
    triacetin 140.98
    span 80 84.42
    1,4-butanediol 40.97
    1,1-dichloroethane 380.76
    2-methyl-1-pentanol 63.65
    methyl formate 195.27
    2-methyl-1-butanol 62.91
    n-decane 18.76
    butyronitrile 147.31
    3,7-dimethyl-1-octanol 53.99
    1-chlorooctane 65.56
    1-chlorotetradecane 31.09
    n-nonane 18.78
    undecane 15.02
    tert-butylcyclohexane 26.25
    cyclooctane 18.78
    cyclopentanol 123.18
    tetrahydropyran 232.1
    tert-amyl methyl ether 75.87
    2,5,8-trioxanonane 178.19
    1-hexene 62.43
    2-isopropoxyethanol 78.78
    2,2,2-trifluoroethanol 100.77
    methyl butyrate 161.09

    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