5-Ethyl-6,7-dihydro-5H-cyclopentapyrazine

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  • Identifiers

    CAS number
    52517-53-0

    Molecular formula
    C9H12N2

    SMILES
    CCC1CCC2=NC=CN=C12

  • Odor profile

    Fragrance
    Nutty 80.42%
    Roasted 78.92%
    Earthy 68.22%
    Musty 58.15%
    Hazelnut 51.01%
    Potato 49.17%
    Coffee 48.7%
    Burnt 46.88%
    Cocoa 45.04%
    Popcorn 40.12%

     

    Flavor
    Earthy 54.16%
    Roasted 53.61%
    Nutty 45.61%
    Musty 45.53%
    Nut 39.49%
    Potato 38.66%
    Pepper 37.36%
    Green 36.52%
    Peanut 34.03%
    Roast 34.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.03 (weak acid)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    251°C

    Flash point

    • 106.19 ˚C est.

  • Synonyms

    • 52517-53-0
    • 5H-Cyclopentapyrazine, 5-ethyl-6,7-dihydro-
    • 5-Ethyl-6,7-dihydro-5H-cyclopentapyrazine
    • 5-ethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
    • YYNBADKNRLCDCG-UHFFFAOYSA-N
    • DTXSID601019846
    • DB-325338
    • 5-ethyl-6,7-dihydro-5h-cyclo-pentapyrazine
    • NS00127092

  • Applications

    5-Ethyl-6,7-dihydro-5H-cyclopentapyrazine (CAS 52517-53-0) is typically used as an intermediate in the synthesis of heterocyclic compounds for medicinal chemistry; it serves as a scaffold for developing nitrogen-containing heterocycles and potential bioactive derivatives; it is also considered a building block for agrochemicals and for polymer materials that incorporate pyrazine rings; it may act as a precursor for polymer and materials development, enabling incorporation of the heterocyclic core in specialized formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 215.61
    methanol 303.35
    isopropanol 128.62
    water 1.92
    ethyl acetate 217.39
    n-propanol 167.27
    acetone 250.53
    n-butanol 160.42
    acetonitrile 291.02
    DMF 378.93
    toluene 230.3
    isobutanol 142.46
    1,4-dioxane 367.73
    methyl acetate 196.56
    THF 405.14
    2-butanone 212.07
    n-pentanol 132.24
    sec-butanol 118.85
    n-hexane 20.47
    ethylene glycol 63.53
    NMP 358.36
    cyclohexane 55.99
    DMSO 289.7
    n-butyl acetate 316.26
    n-octanol 108.78
    chloroform 1182.38
    n-propyl acetate 155.8
    acetic acid 267.69
    dichloromethane 1296.69
    cyclohexanone 401.45
    propylene glycol 64.39
    isopropyl acetate 134.3
    DMAc 236.64
    2-ethoxyethanol 168.39
    isopentanol 147.8
    n-heptane 35.77
    ethyl formate 257.96
    1,2-dichloroethane 531.29
    n-hexanol 203.96
    2-methoxyethanol 258.31
    isobutyl acetate 115.6
    tetrachloromethane 240.34
    n-pentyl acetate 166.77
    transcutol 602.98
    n-heptanol 108.13
    ethylbenzene 110.32
    MIBK 121.04
    2-propoxyethanol 261.23
    tert-butanol 125.54
    MTBE 115.51
    2-butoxyethanol 168.41
    propionic acid 180.87
    o-xylene 137.11
    formic acid 117.73
    diethyl ether 150.73
    m-xylene 146.63
    p-xylene 145.42
    chlorobenzene 439.67
    dimethyl carbonate 107.22
    n-octane 19.12
    formamide 148.28
    cyclopentanone 393.0
    2-pentanone 176.21
    anisole 165.69
    cyclopentyl methyl ether 197.89
    gamma-butyrolactone 490.78
    1-methoxy-2-propanol 167.25
    pyridine 567.34
    3-pentanone 153.34
    furfural 585.43
    n-dodecane 19.97
    diethylene glycol 203.1
    diisopropyl ether 54.51
    tert-amyl alcohol 119.08
    acetylacetone 217.05
    n-hexadecane 22.69
    acetophenone 176.39
    methyl propionate 173.68
    isopentyl acetate 251.82
    trichloroethylene 1075.3
    n-nonanol 94.0
    cyclohexanol 158.8
    benzyl alcohol 169.75
    2-ethylhexanol 138.48
    isooctanol 88.02
    dipropyl ether 131.66
    1,2-dichlorobenzene 392.31
    ethyl lactate 81.33
    propylene carbonate 360.4
    n-methylformamide 241.78
    2-pentanol 92.29
    n-pentane 24.42
    1-propoxy-2-propanol 180.9
    1-methoxy-2-propyl acetate 199.01
    2-(2-methoxypropoxy) propanol 155.65
    mesitylene 98.14
    ε-caprolactone 333.46
    p-cymene 102.56
    epichlorohydrin 522.04
    1,1,1-trichloroethane 463.58
    2-aminoethanol 102.23
    morpholine-4-carbaldehyde 339.2
    sulfolane 437.56
    2,2,4-trimethylpentane 18.85
    2-methyltetrahydrofuran 286.57
    n-hexyl acetate 216.57
    isooctane 14.9
    2-(2-butoxyethoxy)ethanol 210.68
    sec-butyl acetate 99.81
    tert-butyl acetate 117.3
    decalin 32.07
    glycerin 97.49
    diglyme 363.84
    acrylic acid 186.13
    isopropyl myristate 91.35
    n-butyric acid 263.82
    acetyl acetate 167.52
    di(2-ethylhexyl) phthalate 106.91
    ethyl propionate 124.46
    nitromethane 359.61
    1,2-diethoxyethane 260.47
    benzonitrile 381.05
    trioctyl phosphate 76.95
    1-bromopropane 284.62
    gamma-valerolactone 458.64
    n-decanol 75.96
    triethyl phosphate 90.1
    4-methyl-2-pentanol 71.53
    propionitrile 245.81
    vinylene carbonate 396.99
    1,1,2-trichlorotrifluoroethane 292.5
    DMS 171.5
    cumene 85.34
    2-octanol 76.94
    2-hexanone 145.29
    octyl acetate 115.77
    limonene 127.29
    1,2-dimethoxyethane 267.7
    ethyl orthosilicate 87.73
    tributyl phosphate 98.75
    diacetone alcohol 126.09
    N,N-dimethylaniline 117.32
    acrylonitrile 327.85
    aniline 230.22
    1,3-propanediol 152.59
    bromobenzene 511.83
    dibromomethane 735.72
    1,1,2,2-tetrachloroethane 640.6
    2-methyl-cyclohexyl acetate 145.03
    tetrabutyl urea 122.32
    diisobutyl methanol 77.06
    2-phenylethanol 215.6
    styrene 148.83
    dioctyl adipate 124.2
    dimethyl sulfate 133.72
    ethyl butyrate 190.77
    methyl lactate 93.68
    butyl lactate 123.52
    diethyl carbonate 144.74
    propanediol butyl ether 137.66
    triethyl orthoformate 128.13
    p-tert-butyltoluene 88.14
    methyl 4-tert-butylbenzoate 157.36
    morpholine 319.95
    tert-butylamine 101.07
    n-dodecanol 64.06
    dimethoxymethane 234.98
    ethylene carbonate 305.3
    cyrene 135.69
    2-ethoxyethyl acetate 218.34
    2-ethylhexyl acetate 209.3
    1,2,4-trichlorobenzene 386.64
    4-methylpyridine 457.08
    dibutyl ether 140.73
    2,6-dimethyl-4-heptanol 77.06
    DEF 213.97
    dimethyl isosorbide 261.78
    tetrachloroethylene 536.21
    eugenol 167.37
    triacetin 162.85
    span 80 147.29
    1,4-butanediol 77.74
    1,1-dichloroethane 478.99
    2-methyl-1-pentanol 129.25
    methyl formate 231.75
    2-methyl-1-butanol 143.11
    n-decane 28.38
    butyronitrile 272.49
    3,7-dimethyl-1-octanol 104.51
    1-chlorooctane 104.4
    1-chlorotetradecane 48.3
    n-nonane 26.94
    undecane 23.21
    tert-butylcyclohexane 26.08
    cyclooctane 23.04
    cyclopentanol 175.81
    tetrahydropyran 286.23
    tert-amyl methyl ether 88.55
    2,5,8-trioxanonane 247.84
    1-hexene 77.11
    2-isopropoxyethanol 119.44
    2,2,2-trifluoroethanol 115.64
    methyl butyrate 175.86

    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