5,6,7,8-Tetrahydro-5-methylquinoxaline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52517-54-1

    Molecular formula
    C9H12N2

    SMILES
    CC1CCCC2=NC=CN=C12

    Safety labels

  • Odor profile

    Fragrance
    Nutty 84.42%
    Roasted 83.11%
    Earthy 71.39%
    Musty 63.74%
    Coffee 58.76%
    Hazelnut 54.97%
    Potato 52.76%
    Burnt 52.21%
    Cocoa 49.11%
    Popcorn 47.34%

     

    Flavor
    Roasted 65.88%
    Earthy 56.59%
    Musty 52.65%
    Nutty 50.87%
    Nut 50.23%
    Potato 48.47%
    Roast 46.2%
    Coffee 44.36%
    Corn 43.51%
    Peanut 42.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.27 (weak acid)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 112.51 ˚C est.

  • Synonyms

    • 52517-54-1
    • 5,6,7,8-Tetrahydro-5-methylquinoxaline
    • Quinoxaline, 5,6,7,8-tetrahydro-5-methyl-
    • DTXSID501019843
    • RefChem:527877
    • DTXCID401477715
    • 5-methyl-5,6,7,8-tetrahydroquinoxaline
    • VL2ZUB63ZU
    • SCHEMBL8275168
    • JPKFXMPIYYDRJK-UHFFFAOYSA-N
    • 5,6,7,8-tetrahydro-5-methyl quinoxaline
    • DB-327397
    • NS00122614
    • 52517-54-1

  • Applications

    5,6,7,8-Tetrahydro-5-methylquinoxaline (CAS 52517-54-1) is primarily used as a synthetic intermediate and building block in heterocyclic chemistry. In pharmaceutical research, it serves as a precursor for quinoxaline-containing drug candidates and related heterocyclic scaffolds. It is also evaluated for the synthesis of agrochemical products. In materials science, this core is viewed as a scaffold for organic electronic materials and dyes, and is applied in polymer systems that contain heterocycles. In coatings and inks, it can be used as a precursor for dyes or functionalizing agents. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.85
    methanol 229.96
    isopropanol 116.74
    water 1.45
    ethyl acetate 305.38
    n-propanol 148.59
    acetone 412.41
    n-butanol 143.18
    acetonitrile 351.4
    DMF 462.07
    toluene 295.57
    isobutanol 128.86
    1,4-dioxane 621.3
    methyl acetate 300.21
    THF 656.61
    2-butanone 341.05
    n-pentanol 129.62
    sec-butanol 111.72
    n-hexane 31.14
    ethylene glycol 44.86
    NMP 617.75
    cyclohexane 56.87
    DMSO 527.73
    n-butyl acetate 399.11
    n-octanol 103.14
    chloroform 1384.0
    n-propyl acetate 259.82
    acetic acid 269.51
    dichloromethane 1517.15
    cyclohexanone 631.87
    propylene glycol 46.67
    isopropyl acetate 189.25
    DMAc 303.01
    2-ethoxyethanol 197.79
    isopentanol 146.34
    n-heptane 35.62
    ethyl formate 280.6
    1,2-dichloroethane 774.42
    n-hexanol 184.34
    2-methoxyethanol 264.3
    isobutyl acetate 179.98
    tetrachloromethane 286.22
    n-pentyl acetate 233.3
    transcutol 852.97
    n-heptanol 108.81
    ethylbenzene 126.85
    MIBK 186.53
    2-propoxyethanol 292.96
    tert-butanol 138.73
    MTBE 173.48
    2-butoxyethanol 196.09
    propionic acid 203.37
    o-xylene 168.02
    formic acid 93.02
    diethyl ether 233.81
    m-xylene 185.53
    p-xylene 179.45
    chlorobenzene 558.34
    dimethyl carbonate 134.5
    n-octane 18.78
    formamide 121.85
    cyclopentanone 702.57
    2-pentanone 272.45
    anisole 214.37
    cyclopentyl methyl ether 332.0
    gamma-butyrolactone 838.87
    1-methoxy-2-propanol 190.09
    pyridine 626.86
    3-pentanone 242.9
    furfural 794.8
    n-dodecane 17.19
    diethylene glycol 203.75
    diisopropyl ether 81.51
    tert-amyl alcohol 127.12
    acetylacetone 338.78
    n-hexadecane 20.07
    acetophenone 228.78
    methyl propionate 250.56
    isopentyl acetate 307.17
    trichloroethylene 1487.88
    n-nonanol 91.17
    cyclohexanol 173.35
    benzyl alcohol 177.94
    2-ethylhexanol 138.09
    isooctanol 96.72
    dipropyl ether 172.99
    1,2-dichlorobenzene 480.73
    ethyl lactate 101.49
    propylene carbonate 467.32
    n-methylformamide 279.26
    2-pentanol 100.72
    n-pentane 29.99
    1-propoxy-2-propanol 212.74
    1-methoxy-2-propyl acetate 253.52
    2-(2-methoxypropoxy) propanol 165.18
    mesitylene 124.8
    ε-caprolactone 500.14
    p-cymene 106.82
    epichlorohydrin 877.82
    1,1,1-trichloroethane 687.04
    2-aminoethanol 76.21
    morpholine-4-carbaldehyde 557.34
    sulfolane 927.19
    2,2,4-trimethylpentane 25.97
    2-methyltetrahydrofuran 499.11
    n-hexyl acetate 276.15
    isooctane 21.04
    2-(2-butoxyethoxy)ethanol 235.87
    sec-butyl acetate 151.67
    tert-butyl acetate 196.17
    decalin 40.17
    glycerin 81.51
    diglyme 495.04
    acrylic acid 217.6
    isopropyl myristate 106.83
    n-butyric acid 266.52
    acetyl acetate 218.49
    di(2-ethylhexyl) phthalate 111.25
    ethyl propionate 193.44
    nitromethane 504.1
    1,2-diethoxyethane 340.29
    benzonitrile 401.81
    trioctyl phosphate 80.3
    1-bromopropane 375.25
    gamma-valerolactone 781.36
    n-decanol 72.24
    triethyl phosphate 107.33
    4-methyl-2-pentanol 77.22
    propionitrile 270.79
    vinylene carbonate 470.63
    1,1,2-trichlorotrifluoroethane 424.61
    DMS 227.71
    cumene 98.24
    2-octanol 80.14
    2-hexanone 250.52
    octyl acetate 134.54
    limonene 141.79
    1,2-dimethoxyethane 380.71
    ethyl orthosilicate 101.94
    tributyl phosphate 111.41
    diacetone alcohol 182.01
    N,N-dimethylaniline 145.87
    acrylonitrile 386.7
    aniline 261.43
    1,3-propanediol 124.6
    bromobenzene 666.99
    dibromomethane 931.65
    1,1,2,2-tetrachloroethane 938.42
    2-methyl-cyclohexyl acetate 176.16
    tetrabutyl urea 129.16
    diisobutyl methanol 84.69
    2-phenylethanol 208.47
    styrene 171.24
    dioctyl adipate 140.83
    dimethyl sulfate 221.21
    ethyl butyrate 236.23
    methyl lactate 107.46
    butyl lactate 146.88
    diethyl carbonate 159.51
    propanediol butyl ether 160.37
    triethyl orthoformate 153.28
    p-tert-butyltoluene 95.52
    methyl 4-tert-butylbenzoate 181.47
    morpholine 465.22
    tert-butylamine 102.09
    n-dodecanol 58.95
    dimethoxymethane 304.0
    ethylene carbonate 389.21
    cyrene 178.59
    2-ethoxyethyl acetate 297.2
    2-ethylhexyl acetate 260.01
    1,2,4-trichlorobenzene 544.66
    4-methylpyridine 559.03
    dibutyl ether 169.75
    2,6-dimethyl-4-heptanol 84.69
    DEF 312.33
    dimethyl isosorbide 344.9
    tetrachloroethylene 701.98
    eugenol 191.43
    triacetin 220.98
    span 80 151.07
    1,4-butanediol 74.06
    1,1-dichloroethane 639.51
    2-methyl-1-pentanol 132.47
    methyl formate 288.22
    2-methyl-1-butanol 140.84
    n-decane 26.25
    butyronitrile 282.49
    3,7-dimethyl-1-octanol 105.14
    1-chlorooctane 113.3
    1-chlorotetradecane 47.45
    n-nonane 25.58
    undecane 20.81
    tert-butylcyclohexane 37.27
    cyclooctane 25.53
    cyclopentanol 208.12
    tetrahydropyran 451.59
    tert-amyl methyl ether 137.48
    2,5,8-trioxanonane 286.12
    1-hexene 109.58
    2-isopropoxyethanol 148.19
    2,2,2-trifluoroethanol 128.6
    methyl butyrate 272.27

    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