6,7-Dihydro-5,7-dimethyl-5H-cyclopentapyrazine

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  • Identifiers

    CAS number
    41330-21-6

    Molecular formula
    C9H12N2

    SMILES
    CC1CC(C2=NC=CN=C12)C

  • Odor profile

    Fragrance
    Nutty 80.15%
    Roasted 79.83%
    Earthy 68.81%
    Coffee 59.54%
    Burnt 56.64%
    Musty 55.77%
    Hazelnut 49.55%
    Potato 48.87%
    Cocoa 45.36%
    Meaty 45.16%

     

    Flavor
    Earthy 56.83%
    Roasted 53.38%
    Nutty 44.74%
    Potato 44.39%
    Musty 43.11%
    Nut 40.81%
    Roast 38.28%
    Coffee 37.65%
    Peanut 36.69%
    Corn 33.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.54 (weak acid)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 101.04 ˚C est.

  • Synonyms

    • 6,7-Dihydro-5,7-dimethyl-5H-cyclopentapyrazine
    • 41330-21-6
    • 94LR72EY8I
    • UNII-94LR72EY8I
    • 5H-Cyclopentapyrazine, 6,7-dihydro-5,7-dimethyl-
    • 5,7-Dimethyl-6,7-dihydro-5H-cyclopentapyrazine
    • DTXSID901019871
    • 5H-Cyclopentapyrazine,6,7-dihydro-5,7-dimethyl-
    • SCHEMBL12569480
    • SCHEMBL22681333
    • WVYDNDBDLYZJKJ-UHFFFAOYSA-N
    • DTXCID401477739
    • NS00126488

  • Applications

    Primarily encountered as an organic intermediate and heterocyclic building block in pharmaceutical research, 6,7-Dihydro-5,7-dimethyl-5H-cyclopentapyrazine is used as a scaffold for medicinal chemistry programs and for the synthesis of drug candidates. It is often evaluated in libraries of heterocycles and can serve as a precursor to more elaborated cyclic compounds. In agrochemical research, the compound may be explored as a core fragment for new agrochemicals. In broader fine chemicals and specialty chemical manufacturing, it can appear as an intermediate for synthesis of diverse compounds and research scale libraries. Its use is typically confined to controlled development settings and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 218.15
    methanol 355.44
    isopropanol 141.78
    water 8.9
    ethyl acetate 268.83
    n-propanol 187.36
    acetone 331.45
    n-butanol 175.65
    acetonitrile 328.02
    DMF 381.22
    toluene 230.78
    isobutanol 161.39
    1,4-dioxane 483.31
    methyl acetate 269.27
    THF 662.18
    2-butanone 274.34
    n-pentanol 141.69
    sec-butanol 146.86
    n-hexane 49.98
    ethylene glycol 93.63
    NMP 524.2
    cyclohexane 72.52
    DMSO 307.98
    n-butyl acetate 333.39
    n-octanol 138.3
    chloroform 1199.91
    n-propyl acetate 200.58
    acetic acid 343.11
    dichloromethane 1120.78
    cyclohexanone 497.44
    propylene glycol 87.11
    isopropyl acetate 192.88
    DMAc 284.17
    2-ethoxyethanol 198.47
    isopentanol 166.7
    n-heptane 46.71
    ethyl formate 263.25
    1,2-dichloroethane 556.54
    n-hexanol 205.16
    2-methoxyethanol 299.63
    isobutyl acetate 161.97
    tetrachloromethane 323.3
    n-pentyl acetate 241.79
    transcutol 526.53
    n-heptanol 139.16
    ethylbenzene 126.07
    MIBK 183.63
    2-propoxyethanol 302.47
    tert-butanol 153.41
    MTBE 187.12
    2-butoxyethanol 226.03
    propionic acid 227.93
    o-xylene 158.96
    formic acid 161.49
    diethyl ether 229.75
    m-xylene 175.22
    p-xylene 180.68
    chlorobenzene 414.79
    dimethyl carbonate 153.26
    n-octane 29.06
    formamide 166.13
    cyclopentanone 618.77
    2-pentanone 251.33
    anisole 190.49
    cyclopentyl methyl ether 334.47
    gamma-butyrolactone 768.63
    1-methoxy-2-propanol 197.45
    pyridine 465.84
    3-pentanone 224.86
    furfural 648.41
    n-dodecane 24.77
    diethylene glycol 238.17
    diisopropyl ether 99.34
    tert-amyl alcohol 153.56
    acetylacetone 287.45
    n-hexadecane 28.03
    acetophenone 202.81
    methyl propionate 230.7
    isopentyl acetate 299.47
    trichloroethylene 1092.38
    n-nonanol 117.86
    cyclohexanol 200.81
    benzyl alcohol 166.34
    2-ethylhexanol 146.19
    isooctanol 121.45
    dipropyl ether 158.89
    1,2-dichlorobenzene 410.5
    ethyl lactate 107.01
    propylene carbonate 457.27
    n-methylformamide 281.62
    2-pentanol 128.67
    n-pentane 46.94
    1-propoxy-2-propanol 209.27
    1-methoxy-2-propyl acetate 246.72
    2-(2-methoxypropoxy) propanol 162.93
    mesitylene 127.59
    ε-caprolactone 435.46
    p-cymene 110.91
    epichlorohydrin 699.08
    1,1,1-trichloroethane 609.13
    2-aminoethanol 126.79
    morpholine-4-carbaldehyde 439.1
    sulfolane 729.9
    2,2,4-trimethylpentane 38.39
    2-methyltetrahydrofuran 480.8
    n-hexyl acetate 304.05
    isooctane 28.84
    2-(2-butoxyethoxy)ethanol 226.69
    sec-butyl acetate 137.82
    tert-butyl acetate 205.93
    decalin 48.84
    glycerin 133.56
    diglyme 413.68
    acrylic acid 241.75
    isopropyl myristate 113.3
    n-butyric acid 281.14
    acetyl acetate 220.06
    di(2-ethylhexyl) phthalate 122.26
    ethyl propionate 169.05
    nitromethane 441.6
    1,2-diethoxyethane 255.38
    benzonitrile 332.56
    trioctyl phosphate 94.0
    1-bromopropane 314.94
    gamma-valerolactone 622.37
    n-decanol 90.2
    triethyl phosphate 105.63
    4-methyl-2-pentanol 92.66
    propionitrile 249.63
    vinylene carbonate 452.46
    1,1,2-trichlorotrifluoroethane 395.42
    DMS 241.27
    cumene 104.2
    2-octanol 110.04
    2-hexanone 202.15
    octyl acetate 143.52
    limonene 141.53
    1,2-dimethoxyethane 324.89
    ethyl orthosilicate 103.36
    tributyl phosphate 120.64
    diacetone alcohol 182.78
    N,N-dimethylaniline 138.72
    acrylonitrile 332.96
    aniline 216.96
    1,3-propanediol 168.15
    bromobenzene 473.75
    dibromomethane 728.47
    1,1,2,2-tetrachloroethane 754.57
    2-methyl-cyclohexyl acetate 171.44
    tetrabutyl urea 134.7
    diisobutyl methanol 93.8
    2-phenylethanol 211.48
    styrene 146.33
    dioctyl adipate 141.66
    dimethyl sulfate 224.82
    ethyl butyrate 201.61
    methyl lactate 130.72
    butyl lactate 167.75
    diethyl carbonate 148.33
    propanediol butyl ether 175.68
    triethyl orthoformate 147.29
    p-tert-butyltoluene 103.79
    methyl 4-tert-butylbenzoate 198.65
    morpholine 392.21
    tert-butylamine 121.06
    n-dodecanol 73.35
    dimethoxymethane 289.17
    ethylene carbonate 368.24
    cyrene 174.11
    2-ethoxyethyl acetate 280.25
    2-ethylhexyl acetate 253.22
    1,2,4-trichlorobenzene 440.78
    4-methylpyridine 426.56
    dibutyl ether 168.41
    2,6-dimethyl-4-heptanol 93.8
    DEF 269.42
    dimethyl isosorbide 322.46
    tetrachloroethylene 609.15
    eugenol 191.65
    triacetin 211.52
    span 80 162.49
    1,4-butanediol 99.02
    1,1-dichloroethane 521.9
    2-methyl-1-pentanol 142.95
    methyl formate 302.25
    2-methyl-1-butanol 177.2
    n-decane 38.69
    butyronitrile 268.92
    3,7-dimethyl-1-octanol 124.76
    1-chlorooctane 135.39
    1-chlorotetradecane 57.32
    n-nonane 38.96
    undecane 29.9
    tert-butylcyclohexane 47.14
    cyclooctane 36.88
    cyclopentanol 239.22
    tetrahydropyran 370.88
    tert-amyl methyl ether 158.55
    2,5,8-trioxanonane 255.51
    1-hexene 124.7
    2-isopropoxyethanol 149.0
    2,2,2-trifluoroethanol 189.79
    methyl butyrate 224.45

    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