5H-Cyclopentapyrazine

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  • Identifiers

    CAS number
    25042-83-5

    Molecular formula
    C7H6N2

    SMILES
    C1C=CC2=NC=CN=C21

    Safety labels

  • Odor profile

    Fragrance
    Roasted 79.18%
    Nutty 79.02%
    Popcorn 51.64%
    Musty 47.86%
    Earthy 45.44%
    Burnt 44.46%
    Coffee 40.25%
    Meaty 40.14%
    Hazelnut 37.32%
    Potato 36.63%

     

    Flavor
    Roasted 57.14%
    Bitter 48.98%
    Corn 43.59%
    Nutty 41.98%
    Nut 38.18%
    Chip 36.78%
    Roast 34.9%
    Coffee 28.5%
    Toasted 27.49%
    Musty 26.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.05 (weak acid)

    Molecular weight
    118.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    254°C

    Flash point

    • 95.69 ˚C est.

  • Synonyms

    • 5H-Cyclopentapyrazine
    • XT1L3X5TR1
    • 5h-cyclopenta[b]pyrazine
    • UNII-XT1L3X5TR1
    • 25042-83-5
    • 5H-cyclopenta(b)pyrazine
    • RefChem:103564
    • 7H-cyclopenta[b]pyrazine
    • SCHEMBL12260190
    • SCHEMBL18280001
    • CHEBI:177993
    • DTXSID501314714
    • 25042-83-5

  • Applications

    5H-Cyclopentapyrazine (CAS 25042-83-5) is primarily used as an intermediate in pharmaceutical and agrochemical synthesis, serving as a heteroaromatic pyrazine-building block in medicinal chemistry. It is also considered a precursor for functional organic materials and related applications in materials science, including electronic and photonic material systems. Additionally, 5H-Cyclopentapyrazine can be employed in polymer chemistry as a building unit for functional polymers or as a ligand scaffold in catalysis, depending on formulation needs and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.78
    methanol 292.26
    isopropanol 121.99
    water 14.45
    ethyl acetate 204.93
    n-propanol 148.09
    acetone 264.48
    n-butanol 141.59
    acetonitrile 281.93
    DMF 381.7
    toluene 166.65
    isobutanol 119.57
    1,4-dioxane 271.56
    methyl acetate 180.62
    THF 436.23
    2-butanone 204.6
    n-pentanol 142.27
    sec-butanol 119.07
    n-hexane 35.09
    ethylene glycol 88.44
    NMP 368.14
    cyclohexane 41.35
    DMSO 382.9
    n-butyl acetate 118.2
    n-octanol 43.76
    chloroform 413.65
    n-propyl acetate 101.71
    acetic acid 243.06
    dichloromethane 538.27
    cyclohexanone 228.33
    propylene glycol 65.35
    isopropyl acetate 101.49
    DMAc 282.78
    2-ethoxyethanol 203.59
    isopentanol 119.7
    n-heptane 27.5
    ethyl formate 164.04
    1,2-dichloroethane 301.74
    n-hexanol 96.5
    2-methoxyethanol 257.05
    isobutyl acetate 64.87
    tetrachloromethane 96.81
    n-pentyl acetate 81.33
    transcutol 564.28
    n-heptanol 47.15
    ethylbenzene 56.87
    MIBK 100.92
    2-propoxyethanol 182.58
    tert-butanol 108.93
    MTBE 113.5
    2-butoxyethanol 98.67
    propionic acid 130.18
    o-xylene 86.07
    formic acid 214.55
    diethyl ether 209.12
    m-xylene 93.9
    p-xylene 72.34
    chlorobenzene 186.8
    dimethyl carbonate 98.81
    n-octane 12.26
    formamide 250.14
    cyclopentanone 319.29
    2-pentanone 187.6
    anisole 119.74
    cyclopentyl methyl ether 209.46
    gamma-butyrolactone 338.36
    1-methoxy-2-propanol 171.51
    pyridine 349.39
    3-pentanone 165.65
    furfural 352.07
    n-dodecane 9.91
    diethylene glycol 181.57
    diisopropyl ether 61.85
    tert-amyl alcohol 103.09
    acetylacetone 186.46
    n-hexadecane 10.88
    acetophenone 112.7
    methyl propionate 171.17
    isopentyl acetate 92.14
    trichloroethylene 450.98
    n-nonanol 41.53
    cyclohexanol 116.85
    benzyl alcohol 118.63
    2-ethylhexanol 65.35
    isooctanol 41.41
    dipropyl ether 101.47
    1,2-dichlorobenzene 145.3
    ethyl lactate 59.41
    propylene carbonate 152.06
    n-methylformamide 239.86
    2-pentanol 103.99
    n-pentane 39.62
    1-propoxy-2-propanol 120.25
    1-methoxy-2-propyl acetate 113.07
    2-(2-methoxypropoxy) propanol 110.84
    mesitylene 55.24
    ε-caprolactone 187.26
    p-cymene 40.92
    epichlorohydrin 395.96
    1,1,1-trichloroethane 190.32
    2-aminoethanol 118.77
    morpholine-4-carbaldehyde 321.88
    sulfolane 308.59
    2,2,4-trimethylpentane 17.85
    2-methyltetrahydrofuran 298.57
    n-hexyl acetate 87.44
    isooctane 12.95
    2-(2-butoxyethoxy)ethanol 150.37
    sec-butyl acetate 68.42
    tert-butyl acetate 84.48
    decalin 20.82
    glycerin 112.07
    diglyme 270.06
    acrylic acid 144.18
    isopropyl myristate 42.86
    n-butyric acid 166.96
    acetyl acetate 121.0
    di(2-ethylhexyl) phthalate 48.14
    ethyl propionate 98.6
    nitromethane 361.92
    1,2-diethoxyethane 218.48
    benzonitrile 166.65
    trioctyl phosphate 33.06
    1-bromopropane 190.23
    gamma-valerolactone 326.47
    n-decanol 34.67
    triethyl phosphate 51.04
    4-methyl-2-pentanol 60.5
    propionitrile 190.07
    vinylene carbonate 157.95
    1,1,2-trichlorotrifluoroethane 195.29
    DMS 99.96
    cumene 42.91
    2-octanol 34.5
    2-hexanone 107.72
    octyl acetate 50.44
    limonene 54.58
    1,2-dimethoxyethane 252.68
    ethyl orthosilicate 51.69
    tributyl phosphate 46.42
    diacetone alcohol 95.31
    N,N-dimethylaniline 85.04
    acrylonitrile 226.54
    aniline 179.49
    1,3-propanediol 143.66
    bromobenzene 187.77
    dibromomethane 333.24
    1,1,2,2-tetrachloroethane 272.08
    2-methyl-cyclohexyl acetate 64.07
    tetrabutyl urea 59.22
    diisobutyl methanol 43.01
    2-phenylethanol 89.53
    styrene 80.8
    dioctyl adipate 55.89
    dimethyl sulfate 130.85
    ethyl butyrate 93.63
    methyl lactate 79.78
    butyl lactate 59.14
    diethyl carbonate 69.52
    propanediol butyl ether 85.7
    triethyl orthoformate 71.48
    p-tert-butyltoluene 36.15
    methyl 4-tert-butylbenzoate 74.33
    morpholine 275.68
    tert-butylamine 82.75
    n-dodecanol 30.24
    dimethoxymethane 254.25
    ethylene carbonate 129.64
    cyrene 104.1
    2-ethoxyethyl acetate 128.5
    2-ethylhexyl acetate 79.31
    1,2,4-trichlorobenzene 158.3
    4-methylpyridine 284.48
    dibutyl ether 83.61
    2,6-dimethyl-4-heptanol 43.01
    DEF 211.55
    dimethyl isosorbide 168.47
    tetrachloroethylene 235.23
    eugenol 90.69
    triacetin 91.8
    span 80 79.97
    1,4-butanediol 97.83
    1,1-dichloroethane 249.91
    2-methyl-1-pentanol 119.77
    methyl formate 202.2
    2-methyl-1-butanol 121.72
    n-decane 14.22
    butyronitrile 191.64
    3,7-dimethyl-1-octanol 51.38
    1-chlorooctane 38.84
    1-chlorotetradecane 21.29
    n-nonane 14.03
    undecane 11.47
    tert-butylcyclohexane 17.19
    cyclooctane 20.35
    cyclopentanol 151.52
    tetrahydropyran 233.6
    tert-amyl methyl ether 100.46
    2,5,8-trioxanonane 199.77
    1-hexene 81.69
    2-isopropoxyethanol 130.41
    2,2,2-trifluoroethanol 109.84
    methyl butyrate 119.83

    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