5-Methyl-5H-cyclopenta[b]pyrazine

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  • Identifiers

    CAS number
    65128-99-6

    Molecular formula
    C8H8N2

    SMILES
    CC1C=CC2=NC=CN=C12

  • Odor profile

    Fragrance
    Roasted 80.39%
    Nutty 74.32%
    Earthy 52.88%
    Burnt 48.52%
    Coffee 48.43%
    Popcorn 46.92%
    Musty 46.17%
    Hazelnut 43.37%
    Meaty 42.43%
    Potato 41.3%

     

    Flavor
    Roasted 53.54%
    Bitter 51.26%
    Nutty 42.5%
    Corn 39.03%
    Nut 37.52%
    Roast 36.64%
    Chip 33.83%
    Potato 28.02%
    Coffee 27.94%
    Musty 27.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.09 (weak acid)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    248°C

    Flash point

    • 100.42 ˚C est.

  • Synonyms

    • 5-Methyl-5H-cyclopenta[b]pyrazine
    • 5-methyl-5(H)-cyclopentapyrazine
    • 65128-99-6
    • WWUFRIQCZCLXPV-UHFFFAOYSA-N
    • DTXSID801017503

  • Applications

    5-Methyl-5H-cyclopenta[b]pyrazine (CAS 65128-99-6) is used as a fragrance ingredient and flavor intermediate, with applications in perfumery, food/beverage flavor formulation, and cosmetics/personal care products; it may also serve as an organic-synthesis intermediate or building block for heterocyclic compounds in pharmaceutical or agrochemical research; in materials science, it can function as a small-molecule building block for polymers and advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 124.04
    methanol 182.42
    isopropanol 86.21
    water 8.34
    ethyl acetate 132.3
    n-propanol 101.33
    acetone 187.37
    n-butanol 91.75
    acetonitrile 161.46
    DMF 266.77
    toluene 115.97
    isobutanol 84.64
    1,4-dioxane 306.66
    methyl acetate 130.0
    THF 310.3
    2-butanone 149.67
    n-pentanol 93.56
    sec-butanol 81.85
    n-hexane 20.04
    ethylene glycol 74.63
    NMP 318.41
    cyclohexane 22.23
    DMSO 293.0
    n-butyl acetate 123.6
    n-octanol 65.64
    chloroform 419.09
    n-propyl acetate 109.97
    acetic acid 154.27
    dichloromethane 457.66
    cyclohexanone 216.85
    propylene glycol 63.65
    isopropyl acetate 86.01
    DMAc 206.17
    2-ethoxyethanol 164.3
    isopentanol 85.88
    n-heptane 19.71
    ethyl formate 115.28
    1,2-dichloroethane 247.75
    n-hexanol 99.34
    2-methoxyethanol 205.3
    isobutyl acetate 82.52
    tetrachloromethane 107.24
    n-pentyl acetate 97.26
    transcutol 469.84
    n-heptanol 64.85
    ethylbenzene 62.48
    MIBK 97.65
    2-propoxyethanol 176.95
    tert-butanol 91.15
    MTBE 91.08
    2-butoxyethanol 123.66
    propionic acid 106.74
    o-xylene 77.35
    formic acid 90.02
    diethyl ether 120.01
    m-xylene 85.53
    p-xylene 85.59
    chlorobenzene 172.09
    dimethyl carbonate 87.28
    n-octane 12.51
    formamide 103.71
    cyclopentanone 283.77
    2-pentanone 122.46
    anisole 119.56
    cyclopentyl methyl ether 150.51
    gamma-butyrolactone 319.13
    1-methoxy-2-propanol 145.37
    pyridine 243.64
    3-pentanone 114.23
    furfural 331.91
    n-dodecane 12.02
    diethylene glycol 178.83
    diisopropyl ether 47.03
    tert-amyl alcohol 84.8
    acetylacetone 151.64
    n-hexadecane 13.32
    acetophenone 121.39
    methyl propionate 118.18
    isopentyl acetate 111.69
    trichloroethylene 445.65
    n-nonanol 59.25
    cyclohexanol 89.46
    benzyl alcohol 105.54
    2-ethylhexanol 69.96
    isooctanol 59.15
    dipropyl ether 79.42
    1,2-dichlorobenzene 164.16
    ethyl lactate 70.1
    propylene carbonate 177.54
    n-methylformamide 149.24
    2-pentanol 68.85
    n-pentane 20.82
    1-propoxy-2-propanol 119.68
    1-methoxy-2-propyl acetate 119.15
    2-(2-methoxypropoxy) propanol 120.04
    mesitylene 59.74
    ε-caprolactone 190.46
    p-cymene 49.58
    epichlorohydrin 346.56
    1,1,1-trichloroethane 220.32
    2-aminoethanol 90.5
    morpholine-4-carbaldehyde 302.31
    sulfolane 364.45
    2,2,4-trimethylpentane 16.94
    2-methyltetrahydrofuran 217.3
    n-hexyl acetate 125.75
    isooctane 13.64
    2-(2-butoxyethoxy)ethanol 157.44
    sec-butyl acetate 74.33
    tert-butyl acetate 93.07
    decalin 22.19
    glycerin 102.06
    diglyme 260.99
    acrylic acid 122.47
    isopropyl myristate 56.47
    n-butyric acid 125.35
    acetyl acetate 95.65
    di(2-ethylhexyl) phthalate 66.12
    ethyl propionate 97.14
    nitromethane 232.35
    1,2-diethoxyethane 157.9
    benzonitrile 159.29
    trioctyl phosphate 49.23
    1-bromopropane 136.65
    gamma-valerolactone 322.17
    n-decanol 49.49
    triethyl phosphate 58.07
    4-methyl-2-pentanol 54.51
    propionitrile 125.07
    vinylene carbonate 184.65
    1,1,2-trichlorotrifluoroethane 200.39
    DMS 125.16
    cumene 53.47
    2-octanol 50.35
    2-hexanone 107.69
    octyl acetate 69.66
    limonene 60.39
    1,2-dimethoxyethane 219.32
    ethyl orthosilicate 57.66
    tributyl phosphate 60.07
    diacetone alcohol 105.82
    N,N-dimethylaniline 91.34
    acrylonitrile 164.37
    aniline 121.78
    1,3-propanediol 103.73
    bromobenzene 192.12
    dibromomethane 292.23
    1,1,2,2-tetrachloroethane 303.58
    2-methyl-cyclohexyl acetate 82.31
    tetrabutyl urea 73.07
    diisobutyl methanol 48.55
    2-phenylethanol 108.32
    styrene 74.91
    dioctyl adipate 74.04
    dimethyl sulfate 137.54
    ethyl butyrate 95.48
    methyl lactate 82.6
    butyl lactate 81.08
    diethyl carbonate 73.17
    propanediol butyl ether 111.35
    triethyl orthoformate 71.89
    p-tert-butyltoluene 46.23
    methyl 4-tert-butylbenzoate 103.36
    morpholine 239.31
    tert-butylamine 67.47
    n-dodecanol 41.53
    dimethoxymethane 185.92
    ethylene carbonate 146.13
    cyrene 123.53
    2-ethoxyethyl acetate 131.8
    2-ethylhexyl acetate 92.89
    1,2,4-trichlorobenzene 187.34
    4-methylpyridine 211.92
    dibutyl ether 81.55
    2,6-dimethyl-4-heptanol 48.55
    DEF 148.01
    dimethyl isosorbide 184.31
    tetrachloroethylene 232.06
    eugenol 119.72
    triacetin 118.32
    span 80 100.58
    1,4-butanediol 77.18
    1,1-dichloroethane 211.06
    2-methyl-1-pentanol 90.31
    methyl formate 149.89
    2-methyl-1-butanol 88.03
    n-decane 16.91
    butyronitrile 122.65
    3,7-dimethyl-1-octanol 65.79
    1-chlorooctane 56.18
    1-chlorotetradecane 28.81
    n-nonane 16.38
    undecane 13.95
    tert-butylcyclohexane 21.23
    cyclooctane 11.95
    cyclopentanol 111.24
    tetrahydropyran 176.3
    tert-amyl methyl ether 81.01
    2,5,8-trioxanonane 186.98
    1-hexene 56.96
    2-isopropoxyethanol 116.18
    2,2,2-trifluoroethanol 90.29
    methyl butyrate 119.26

    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