3,4-Dimethylpyrrolo[1,2-a]pyrazine

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  • Identifiers

    CAS number
    64608-64-6

    Molecular formula
    C9H10N2

    SMILES
    CC1=C(N2C=CC=C2C=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 73.09%
    Nutty 67.25%
    Burnt 59.11%
    Earthy 54.18%
    Musty 52.57%
    Coffee 51.67%
    Hazelnut 49.36%
    Cocoa 43.54%
    Potato 39.96%
    Chocolate 33.69%

     

    Flavor
    Nutty 52.79%
    Roasted 49.32%
    Bitter 47.12%
    Cocoa 45.95%
    Coffee 45.17%
    Musty 40.21%
    Corn 39.02%
    Hazelnut 37.23%
    Roast 36.85%
    Peanut 34.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.37 (weak acid)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Melting point expt.

    • 50 °C

    Flash point

    • 108.43 ˚C est.

  • Synonyms

    • 3,4-Dimethylpyrrolo[1,2-a]pyrazine
    • 64608-64-6
    • DTXSID80495516
    • 3,4-Dimethylpyrrolo(1,2-a)pyrazine
    • RefChem:271218
    • DTXCID80446326
    • CHEBI:173618
    • AKOS006370173
    • 64608-64-6

  • Applications

    3,4-Dimethylpyrrolo[1,2-a]pyrazine (CAS 64608-64-6) is primarily encountered as an odor-active intermediate in fragrance and flavor applications, contributing roasted, nutty, or cocoa-like notes in perfumery and taste formulations. It is also used as a building block in organic synthesis for more complex heterocycles, serving in pharmaceutical and agrochemical research as a scaffold or intermediate. In cosmetics and personal care, it may be employed as a fragrance ingredient or scent precursor. In household cleaning products, it can function as an odorant additive to enhance or mask fragrance. In industrial manufacturing, it is handled as a specialty chemical intermediate for developing dedicated performance chemicals and materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 212.09
    methanol 368.5
    isopropanol 145.43
    water 34.57
    ethyl acetate 104.7
    n-propanol 192.82
    acetone 144.86
    n-butanol 179.8
    acetonitrile 132.62
    DMF 264.87
    toluene 98.4
    isobutanol 170.84
    1,4-dioxane 294.17
    methyl acetate 112.96
    THF 359.99
    2-butanone 145.59
    n-pentanol 144.54
    sec-butanol 157.17
    n-hexane 34.02
    ethylene glycol 100.94
    NMP 232.24
    cyclohexane 30.04
    DMSO 256.14
    n-butyl acetate 80.95
    n-octanol 61.7
    chloroform 479.85
    n-propyl acetate 68.74
    acetic acid 121.74
    dichloromethane 513.69
    cyclohexanone 188.23
    propylene glycol 87.81
    isopropyl acetate 67.63
    DMAc 221.08
    2-ethoxyethanol 212.74
    isopentanol 144.76
    n-heptane 21.6
    ethyl formate 109.68
    1,2-dichloroethane 254.39
    n-hexanol 119.79
    2-methoxyethanol 316.53
    isobutyl acetate 61.1
    tetrachloromethane 127.23
    n-pentyl acetate 73.56
    transcutol 274.82
    n-heptanol 70.93
    ethylbenzene 60.72
    MIBK 85.86
    2-propoxyethanol 197.44
    tert-butanol 130.62
    MTBE 120.55
    2-butoxyethanol 119.06
    propionic acid 102.92
    o-xylene 76.79
    formic acid 120.61
    diethyl ether 141.9
    m-xylene 74.08
    p-xylene 88.96
    chlorobenzene 137.57
    dimethyl carbonate 68.62
    n-octane 13.4
    formamide 131.09
    cyclopentanone 228.3
    2-pentanone 119.61
    anisole 117.26
    cyclopentyl methyl ether 173.94
    gamma-butyrolactone 242.0
    1-methoxy-2-propanol 199.22
    pyridine 193.5
    3-pentanone 109.34
    furfural 261.19
    n-dodecane 10.59
    diethylene glycol 185.0
    diisopropyl ether 48.36
    tert-amyl alcohol 137.06
    acetylacetone 117.98
    n-hexadecane 11.6
    acetophenone 99.01
    methyl propionate 105.1
    isopentyl acetate 82.92
    trichloroethylene 378.42
    n-nonanol 56.65
    cyclohexanol 126.75
    benzyl alcohol 105.76
    2-ethylhexanol 71.58
    isooctanol 61.24
    dipropyl ether 73.88
    1,2-dichlorobenzene 138.42
    ethyl lactate 56.93
    propylene carbonate 131.75
    n-methylformamide 166.01
    2-pentanol 111.62
    n-pentane 32.26
    1-propoxy-2-propanol 113.28
    1-methoxy-2-propyl acetate 84.43
    2-(2-methoxypropoxy) propanol 95.49
    mesitylene 48.05
    ε-caprolactone 152.12
    p-cymene 42.66
    epichlorohydrin 333.11
    1,1,1-trichloroethane 211.37
    2-aminoethanol 155.61
    morpholine-4-carbaldehyde 239.79
    sulfolane 270.03
    2,2,4-trimethylpentane 21.14
    2-methyltetrahydrofuran 248.62
    n-hexyl acetate 91.74
    isooctane 12.73
    2-(2-butoxyethoxy)ethanol 128.07
    sec-butyl acetate 55.37
    tert-butyl acetate 73.83
    decalin 23.48
    glycerin 130.06
    diglyme 205.67
    acrylic acid 97.32
    isopropyl myristate 43.32
    n-butyric acid 136.31
    acetyl acetate 63.15
    di(2-ethylhexyl) phthalate 52.45
    ethyl propionate 69.63
    nitromethane 166.39
    1,2-diethoxyethane 114.77
    benzonitrile 118.28
    trioctyl phosphate 38.13
    1-bromopropane 174.59
    gamma-valerolactone 263.81
    n-decanol 45.4
    triethyl phosphate 47.04
    4-methyl-2-pentanol 67.39
    propionitrile 132.44
    vinylene carbonate 131.48
    1,1,2-trichlorotrifluoroethane 178.06
    DMS 82.74
    cumene 52.95
    2-octanol 53.56
    2-hexanone 90.63
    octyl acetate 55.92
    limonene 53.16
    1,2-dimethoxyethane 269.21
    ethyl orthosilicate 47.54
    tributyl phosphate 46.5
    diacetone alcohol 96.15
    N,N-dimethylaniline 89.98
    acrylonitrile 142.73
    aniline 126.88
    1,3-propanediol 180.92
    bromobenzene 140.07
    dibromomethane 324.26
    1,1,2,2-tetrachloroethane 298.97
    2-methyl-cyclohexyl acetate 66.88
    tetrabutyl urea 57.26
    diisobutyl methanol 44.02
    2-phenylethanol 95.14
    styrene 67.79
    dioctyl adipate 56.34
    dimethyl sulfate 109.9
    ethyl butyrate 65.46
    methyl lactate 74.69
    butyl lactate 64.63
    diethyl carbonate 53.31
    propanediol butyl ether 88.85
    triethyl orthoformate 53.96
    p-tert-butyltoluene 40.03
    methyl 4-tert-butylbenzoate 87.55
    morpholine 256.5
    tert-butylamine 101.95
    n-dodecanol 36.72
    dimethoxymethane 212.24
    ethylene carbonate 115.72
    cyrene 104.6
    2-ethoxyethyl acetate 97.33
    2-ethylhexyl acetate 68.96
    1,2,4-trichlorobenzene 144.12
    4-methylpyridine 181.41
    dibutyl ether 71.45
    2,6-dimethyl-4-heptanol 44.02
    DEF 142.99
    dimethyl isosorbide 152.03
    tetrachloroethylene 234.98
    eugenol 96.69
    triacetin 75.15
    span 80 77.41
    1,4-butanediol 105.44
    1,1-dichloroethane 228.74
    2-methyl-1-pentanol 127.44
    methyl formate 137.54
    2-methyl-1-butanol 164.69
    n-decane 16.09
    butyronitrile 141.69
    3,7-dimethyl-1-octanol 61.55
    1-chlorooctane 49.97
    1-chlorotetradecane 23.54
    n-nonane 15.9
    undecane 12.77
    tert-butylcyclohexane 23.79
    cyclooctane 13.07
    cyclopentanol 155.74
    tetrahydropyran 206.11
    tert-amyl methyl ether 107.08
    2,5,8-trioxanonane 151.31
    1-hexene 83.37
    2-isopropoxyethanol 132.69
    2,2,2-trifluoroethanol 82.31
    methyl butyrate 91.46

    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