1-Methyl-1,2,3,4-tetrahydroquinoxaline

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  • Identifiers

    CAS number
    36438-97-8

    Molecular formula
    C9H12N2

    SMILES
    CN1CCNC2=CC=CC=C21

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Roasted 52.05%
    Burnt 45.89%
    Nutty 45.63%
    Meaty 43.51%
    Fishy 35.55%
    Animal 33.38%
    Earthy 30.2%
    Cheesy 30.17%
    Popcorn 29.74%
    Musty 29.69%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    123.86 ˚C

  • Synonyms

    • 1-methyl-1,2,3,4-tetrahydroquinoxaline
    • 36438-97-8
    • 4-methyl-2,3-dihydro-1H-quinoxaline
    • DTXSID70957774
    • MFCD01684957
    • 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
    • BRN 0131438
    • Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-
    • Quinoxaline, 1,2,3,4-tetrahydro-4-methyl-
    • Quinoxaline, 1-methyl-1,2,3,4-tetrahydro-
    • 1-methyl-1,2,3,4-tetrahydro-quinoxaline
    • SCHEMBL305967
    • CHEMBL5185429
    • SXLZJUPRTINRQQ-UHFFFAOYSA-N
    • DTXCID001385702
    • ALBB-032047
    • AKOS004123513
    • BS-13509
    • SY178563
    • DB-069374
    • CS-0208535
    • EN300-45580
    • G32908
    • Z558641952
    • 805-460-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.64
    methanol 66.17
    isopropanol 29.56
    water 4.04
    ethyl acetate 87.37
    n-propanol 46.56
    acetone 94.04
    n-butanol 43.15
    acetonitrile 83.73
    DMF 152.99
    toluene 46.66
    isobutanol 36.81
    1,4-dioxane 216.03
    methyl acetate 82.48
    THF 189.85
    2-butanone 81.46
    n-pentanol 37.3
    sec-butanol 29.95
    n-hexane 4.65
    ethylene glycol 31.31
    NMP 207.41
    cyclohexane 8.16
    DMSO 275.21
    n-butyl acetate 85.33
    n-octanol 30.68
    chloroform 270.72
    n-propyl acetate 54.07
    acetic acid 129.24
    dichloromethane 269.49
    cyclohexanone 152.67
    propylene glycol 21.37
    isopropyl acetate 45.62
    DMAc 129.93
    2-ethoxyethanol 79.42
    isopentanol 38.29
    n-heptane 9.69
    ethyl formate 87.23
    1,2-dichloroethane 147.26
    n-hexanol 55.23
    2-methoxyethanol 113.33
    isobutyl acetate 39.99
    tetrachloromethane 59.89
    n-pentyl acetate 46.7
    transcutol 195.45
    n-heptanol 34.2
    ethylbenzene 20.87
    MIBK 42.06
    2-propoxyethanol 102.99
    tert-butanol 40.99
    MTBE 36.41
    2-butoxyethanol 62.98
    propionic acid 75.42
    o-xylene 36.12
    formic acid 71.72
    diethyl ether 52.21
    m-xylene 37.19
    p-xylene 28.92
    chlorobenzene 94.62
    dimethyl carbonate 45.86
    n-octane 5.21
    formamide 79.06
    cyclopentanone 192.5
    2-pentanone 65.36
    anisole 50.19
    cyclopentyl methyl ether 89.81
    gamma-butyrolactone 247.61
    1-methoxy-2-propanol 69.58
    pyridine 128.12
    3-pentanone 69.21
    furfural 240.74
    n-dodecane 4.91
    diethylene glycol 108.01
    diisopropyl ether 19.96
    tert-amyl alcohol 36.36
    acetylacetone 88.59
    n-hexadecane 5.56
    acetophenone 58.95
    methyl propionate 75.06
    isopentyl acetate 64.34
    trichloroethylene 283.64
    n-nonanol 28.82
    cyclohexanol 48.55
    benzyl alcohol 48.27
    2-ethylhexanol 39.49
    isooctanol 29.94
    dipropyl ether 46.92
    1,2-dichlorobenzene 88.46
    ethyl lactate 38.4
    propylene carbonate 131.05
    n-methylformamide 100.5
    2-pentanol 28.81
    n-pentane 5.52
    1-propoxy-2-propanol 69.88
    1-methoxy-2-propyl acetate 78.72
    2-(2-methoxypropoxy) propanol 61.74
    mesitylene 26.49
    ε-caprolactone 128.4
    p-cymene 28.15
    epichlorohydrin 229.36
    1,1,1-trichloroethane 133.43
    2-aminoethanol 42.14
    morpholine-4-carbaldehyde 204.05
    sulfolane 302.37
    2,2,4-trimethylpentane 5.87
    2-methyltetrahydrofuran 126.19
    n-hexyl acetate 56.52
    isooctane 4.68
    2-(2-butoxyethoxy)ethanol 78.77
    sec-butyl acetate 34.0
    tert-butyl acetate 49.9
    decalin 7.53
    glycerin 52.35
    diglyme 150.13
    acrylic acid 86.12
    isopropyl myristate 26.8
    n-butyric acid 90.97
    acetyl acetate 70.0
    di(2-ethylhexyl) phthalate 34.24
    ethyl propionate 48.94
    nitromethane 218.74
    1,2-diethoxyethane 76.66
    benzonitrile 77.27
    trioctyl phosphate 25.81
    1-bromopropane 67.97
    gamma-valerolactone 241.44
    n-decanol 23.44
    triethyl phosphate 39.48
    4-methyl-2-pentanol 21.83
    propionitrile 68.2
    vinylene carbonate 134.26
    1,1,2-trichlorotrifluoroethane 158.59
    DMS 57.59
    cumene 20.57
    2-octanol 21.78
    2-hexanone 53.49
    octyl acetate 35.13
    limonene 38.05
    1,2-dimethoxyethane 118.4
    ethyl orthosilicate 36.54
    tributyl phosphate 32.32
    diacetone alcohol 57.15
    N,N-dimethylaniline 38.99
    acrylonitrile 95.53
    aniline 67.17
    1,3-propanediol 55.43
    bromobenzene 96.19
    dibromomethane 160.44
    1,1,2,2-tetrachloroethane 185.65
    2-methyl-cyclohexyl acetate 49.42
    tetrabutyl urea 38.61
    diisobutyl methanol 26.71
    2-phenylethanol 55.65
    styrene 25.58
    dioctyl adipate 39.28
    dimethyl sulfate 94.34
    ethyl butyrate 59.97
    methyl lactate 47.03
    butyl lactate 38.82
    diethyl carbonate 44.92
    propanediol butyl ether 48.77
    triethyl orthoformate 46.33
    p-tert-butyltoluene 26.72
    methyl 4-tert-butylbenzoate 56.17
    morpholine 153.07
    tert-butylamine 25.99
    n-dodecanol 19.49
    dimethoxymethane 97.84
    ethylene carbonate 113.19
    cyrene 75.36
    2-ethoxyethyl acetate 69.4
    2-ethylhexyl acetate 55.99
    1,2,4-trichlorobenzene 103.58
    4-methylpyridine 103.83
    dibutyl ether 36.53
    2,6-dimethyl-4-heptanol 26.71
    DEF 91.87
    dimethyl isosorbide 114.12
    tetrachloroethylene 144.25
    eugenol 57.93
    triacetin 64.48
    span 80 51.21
    1,4-butanediol 34.03
    1,1-dichloroethane 113.97
    2-methyl-1-pentanol 37.25
    methyl formate 98.52
    2-methyl-1-butanol 38.63
    n-decane 7.48
    butyronitrile 63.67
    3,7-dimethyl-1-octanol 29.52
    1-chlorooctane 26.18
    1-chlorotetradecane 12.94
    n-nonane 7.04
    undecane 5.95
    tert-butylcyclohexane 8.19
    cyclooctane 5.07
    cyclopentanol 60.02
    tetrahydropyran 115.09
    tert-amyl methyl ether 36.1
    2,5,8-trioxanonane 110.49
    1-hexene 15.6
    2-isopropoxyethanol 56.42
    2,2,2-trifluoroethanol 75.86
    methyl butyrate 60.72

    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