6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine

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  • Identifiers

    CAS number
    38917-63-4

    Molecular formula
    C9H12N2

    SMILES
    CC1=C(N=C2CCCC2=N1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 77.25%
    Nutty 75.94%
    Earthy 61.48%
    Burnt 59.51%
    Musty 54.0%
    Coffee 52.92%
    Hazelnut 50.97%
    Cocoa 49.23%
    Potato 42.57%
    Popcorn 39.78%

     

    Flavor
    Roasted 50.91%
    Nutty 40.23%
    Musty 39.27%
    Coffee 37.17%
    Earthy 37.1%
    Roast 36.95%
    Potato 35.37%
    Corn 34.28%
    Cocoa 33.96%
    Burnt 31.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.51 (weak acid)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Melting point expt.

    • 25 - 27 °C

    Flash point

    • 84.9 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in oils, organic solvents
    • very soluble (in ethanol)

  • Synonyms

    • 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
    • 2,3-dimethyl-6,7-dihydro-5H-cyclopentapyrazine
    • 38917-63-4
    • FEMA No. 3917
    • 7V95I5A59R
    • 38917-62-3
    • 2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
    • UNII-7V95I5A59R
    • FEMA 3917
    • DTXSID801015369
    • 2,3-Dimethyl-6,7-dihydro-5H-cyclopenta(b)pyrazine
    • 2,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazine
    • 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine [FIFH]
    • 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE [FHFI]
    • 2,3-dimethyl-5H,6H,7H-cyclopenta(b)pyrazine
    • 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine (FIFH)
    • SCHEMBL18338949
    • DTXCID10114682
    • CHEBI:192291
    • NS00120093
    • 2,3-Dimethyl-6,7-dihydro- 5H-cyclopentapyrazin
    • Q27268899

  • Applications

    6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine (CAS 38917-63-4) may be used as an intermediate and building block in heterocyclic chemistry; in pharmaceutical research it may serve as a scaffold for developing drug-like compounds and is commonly evaluated in medicinal chemistry programs. It may also be relevant as a lead scaffold in agrochemical discovery for new agrochemicals. In chemical synthesis, the compound may act as a precursor for functionalized cyclopentapyrazine derivatives and related heterocycles. In materials science, it may be employed as a starting material for the synthesis of specialty polymers or organic electronic materials where the heteroaromatic ring contributes to performance. Use is typically at research or pilot scales and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 221.55
    methanol 397.25
    isopropanol 176.58
    water 5.09
    ethyl acetate 318.61
    n-propanol 220.32
    acetone 373.95
    n-butanol 216.37
    acetonitrile 251.53
    DMF 702.29
    toluene 276.97
    isobutanol 199.51
    1,4-dioxane 539.26
    methyl acetate 363.74
    THF 624.86
    2-butanone 368.7
    n-pentanol 181.52
    sec-butanol 201.53
    n-hexane 75.63
    ethylene glycol 113.65
    NMP 681.71
    cyclohexane 77.6
    DMSO 447.37
    n-butyl acetate 330.77
    n-octanol 189.79
    chloroform 1246.78
    n-propyl acetate 265.19
    acetic acid 220.55
    dichloromethane 1169.76
    cyclohexanone 546.65
    propylene glycol 124.71
    isopropyl acetate 237.27
    DMAc 633.0
    2-ethoxyethanol 300.38
    isopentanol 204.76
    n-heptane 59.83
    ethyl formate 316.27
    1,2-dichloroethane 634.71
    n-hexanol 217.29
    2-methoxyethanol 443.02
    isobutyl acetate 212.76
    tetrachloromethane 352.41
    n-pentyl acetate 289.24
    transcutol 618.62
    n-heptanol 173.52
    ethylbenzene 210.61
    MIBK 231.04
    2-propoxyethanol 355.89
    tert-butanol 186.6
    MTBE 263.79
    2-butoxyethanol 298.62
    propionic acid 239.24
    o-xylene 235.55
    formic acid 124.27
    diethyl ether 261.05
    m-xylene 222.5
    p-xylene 300.67
    chlorobenzene 453.5
    dimethyl carbonate 257.33
    n-octane 47.19
    formamide 158.57
    cyclopentanone 668.24
    2-pentanone 303.45
    anisole 334.87
    cyclopentyl methyl ether 354.65
    gamma-butyrolactone 769.84
    1-methoxy-2-propanol 315.68
    pyridine 512.77
    3-pentanone 309.48
    furfural 823.79
    n-dodecane 44.83
    diethylene glycol 288.12
    diisopropyl ether 129.72
    tert-amyl alcohol 209.77
    acetylacetone 397.39
    n-hexadecane 50.56
    acetophenone 343.13
    methyl propionate 320.9
    isopentyl acetate 326.28
    trichloroethylene 1139.29
    n-nonanol 161.59
    cyclohexanol 205.16
    benzyl alcohol 252.28
    2-ethylhexanol 182.86
    isooctanol 153.61
    dipropyl ether 203.45
    1,2-dichlorobenzene 511.34
    ethyl lactate 177.78
    propylene carbonate 501.1
    n-methylformamide 331.5
    2-pentanol 164.22
    n-pentane 58.58
    1-propoxy-2-propanol 263.43
    1-methoxy-2-propyl acetate 319.75
    2-(2-methoxypropoxy) propanol 241.66
    mesitylene 165.73
    ε-caprolactone 517.02
    p-cymene 164.38
    epichlorohydrin 804.61
    1,1,1-trichloroethane 625.36
    2-aminoethanol 156.68
    morpholine-4-carbaldehyde 669.07
    sulfolane 761.46
    2,2,4-trimethylpentane 55.25
    2-methyltetrahydrofuran 473.31
    n-hexyl acetate 376.21
    isooctane 37.18
    2-(2-butoxyethoxy)ethanol 310.12
    sec-butyl acetate 200.79
    tert-butyl acetate 257.47
    decalin 78.36
    glycerin 185.8
    diglyme 601.64
    acrylic acid 259.04
    isopropyl myristate 171.82
    n-butyric acid 289.03
    acetyl acetate 282.86
    di(2-ethylhexyl) phthalate 176.65
    ethyl propionate 255.92
    nitromethane 445.87
    1,2-diethoxyethane 329.28
    benzonitrile 425.96
    trioctyl phosphate 131.97
    1-bromopropane 377.37
    gamma-valerolactone 765.24
    n-decanol 127.21
    triethyl phosphate 165.9
    4-methyl-2-pentanol 120.23
    propionitrile 272.5
    vinylene carbonate 532.39
    1,1,2-trichlorotrifluoroethane 490.91
    DMS 385.15
    cumene 171.58
    2-octanol 153.17
    2-hexanone 275.51
    octyl acetate 205.18
    limonene 185.55
    1,2-dimethoxyethane 535.03
    ethyl orthosilicate 157.92
    tributyl phosphate 169.29
    diacetone alcohol 241.85
    N,N-dimethylaniline 273.96
    acrylonitrile 357.13
    aniline 267.56
    1,3-propanediol 211.01
    bromobenzene 537.19
    dibromomethane 749.29
    1,1,2,2-tetrachloroethane 943.4
    2-methyl-cyclohexyl acetate 230.55
    tetrabutyl urea 201.9
    diisobutyl methanol 119.88
    2-phenylethanol 265.14
    styrene 241.9
    dioctyl adipate 218.3
    dimethyl sulfate 371.12
    ethyl butyrate 255.38
    methyl lactate 210.25
    butyl lactate 231.33
    diethyl carbonate 209.36
    propanediol butyl ether 252.79
    triethyl orthoformate 203.12
    p-tert-butyltoluene 152.74
    methyl 4-tert-butylbenzoate 305.88
    morpholine 436.51
    tert-butylamine 149.63
    n-dodecanol 105.41
    dimethoxymethane 454.45
    ethylene carbonate 431.16
    cyrene 251.29
    2-ethoxyethyl acetate 345.39
    2-ethylhexyl acetate 286.79
    1,2,4-trichlorobenzene 579.48
    4-methylpyridine 544.98
    dibutyl ether 257.89
    2,6-dimethyl-4-heptanol 119.88
    DEF 422.79
    dimethyl isosorbide 418.84
    tetrachloroethylene 701.23
    eugenol 305.9
    triacetin 322.43
    span 80 228.93
    1,4-butanediol 133.49
    1,1-dichloroethane 584.4
    2-methyl-1-pentanol 192.95
    methyl formate 359.54
    2-methyl-1-butanol 219.88
    n-decane 65.29
    butyronitrile 285.99
    3,7-dimethyl-1-octanol 180.46
    1-chlorooctane 189.75
    1-chlorotetradecane 92.24
    n-nonane 65.58
    undecane 52.51
    tert-butylcyclohexane 76.4
    cyclooctane 46.16
    cyclopentanol 252.53
    tetrahydropyran 368.16
    tert-amyl methyl ether 248.1
    2,5,8-trioxanonane 405.7
    1-hexene 169.91
    2-isopropoxyethanol 215.65
    2,2,2-trifluoroethanol 170.92
    methyl butyrate 338.99

    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