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

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  • Identifiers

    CAS number
    64608-62-4

    Molecular formula
    C9H10N2

    SMILES
    CC1=CN2C=CC=C2C(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 70.27%
    Nutty 62.52%
    Burnt 54.97%
    Coffee 48.9%
    Earthy 47.27%
    Hazelnut 47.14%
    Musty 44.98%
    Cocoa 40.7%
    Potato 34.25%
    Meaty 32.54%

     

    Flavor
    Cocoa 50.42%
    Roasted 48.97%
    Nutty 48.25%
    Coffee 46.6%
    Musty 38.36%
    Bitter 37.45%
    Burnt 34.06%
    Roast 33.92%
    Corn 33.7%
    Hazelnut 33.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.93 (weak acid)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point

    • 102.48 ˚C est.

  • Synonyms

    • 1,3-Dimethylpyrrolo[1,2-a]pyrazine
    • 64608-62-4
    • 1,3-dimethylpyrrolo(1,2-a)pyrazine
    • Pyrrolo[1,2-a]pyrazine, 1,3-dimethyl-
    • BM7UK9TW6M
    • SCHEMBL13153126
    • SCHEMBL16678930
    • CHEBI:173619
    • OZKVDBMWPNGAHE-UHFFFAOYSA-N
    • DTXSID101286430
    • AKOS006374100
    • 64608-62-4

  • Applications

    1,3-Dimethylpyrrolo[1,2-a]pyrazine (CAS 64608-62-4) is primarily used as a synthetic intermediate and specialized odorant in formulation work. It serves as a fragrance raw material or aroma intermediate in perfumery and personal care, providing a scaffold for complex aroma derivatives. In pharmaceutical and agrochemical research, it offers a nitrogen-containing heteroaromatic scaffold for small-molecule synthesis and library development. It is also employed as a building block in polymer and materials chemistry, enabling functionalized derivatives for coatings, inks, and advanced polymers. Depending on regional regulations and formulation constraints, it may be encountered as a precursor or intermediate in broader industrial manufacturing workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.9
    methanol 481.97
    isopropanol 202.47
    water 26.07
    ethyl acetate 216.81
    n-propanol 258.77
    acetone 270.77
    n-butanol 256.96
    acetonitrile 217.9
    DMF 351.2
    toluene 175.15
    isobutanol 227.38
    1,4-dioxane 500.13
    methyl acetate 204.64
    THF 722.9
    2-butanone 231.52
    n-pentanol 217.37
    sec-butanol 216.06
    n-hexane 88.7
    ethylene glycol 139.53
    NMP 385.19
    cyclohexane 76.42
    DMSO 362.8
    n-butyl acetate 171.7
    n-octanol 117.55
    chloroform 640.82
    n-propyl acetate 128.99
    acetic acid 211.38
    dichloromethane 725.14
    cyclohexanone 339.76
    propylene glycol 115.09
    isopropyl acetate 128.32
    DMAc 297.21
    2-ethoxyethanol 298.05
    isopentanol 209.71
    n-heptane 56.91
    ethyl formate 182.46
    1,2-dichloroethane 378.39
    n-hexanol 221.17
    2-methoxyethanol 442.38
    isobutyl acetate 109.47
    tetrachloromethane 165.93
    n-pentyl acetate 134.2
    transcutol 407.94
    n-heptanol 113.44
    ethylbenzene 95.9
    MIBK 148.26
    2-propoxyethanol 347.53
    tert-butanol 189.53
    MTBE 207.65
    2-butoxyethanol 180.38
    propionic acid 164.61
    o-xylene 110.04
    formic acid 173.98
    diethyl ether 299.04
    m-xylene 127.01
    p-xylene 119.99
    chlorobenzene 213.24
    dimethyl carbonate 128.33
    n-octane 29.17
    formamide 154.51
    cyclopentanone 420.0
    2-pentanone 208.4
    anisole 168.1
    cyclopentyl methyl ether 366.72
    gamma-butyrolactone 440.29
    1-methoxy-2-propanol 278.71
    pyridine 287.81
    3-pentanone 189.14
    furfural 368.46
    n-dodecane 22.48
    diethylene glycol 292.04
    diisopropyl ether 99.08
    tert-amyl alcohol 198.0
    acetylacetone 204.03
    n-hexadecane 24.45
    acetophenone 135.25
    methyl propionate 200.54
    isopentyl acetate 153.41
    trichloroethylene 542.79
    n-nonanol 100.25
    cyclohexanol 214.64
    benzyl alcohol 142.31
    2-ethylhexanol 137.16
    isooctanol 98.03
    dipropyl ether 167.52
    1,2-dichlorobenzene 190.55
    ethyl lactate 92.87
    propylene carbonate 230.41
    n-methylformamide 223.45
    2-pentanol 171.77
    n-pentane 74.99
    1-propoxy-2-propanol 201.61
    1-methoxy-2-propyl acetate 156.41
    2-(2-methoxypropoxy) propanol 138.24
    mesitylene 83.77
    ε-caprolactone 284.91
    p-cymene 68.6
    epichlorohydrin 552.52
    1,1,1-trichloroethane 303.89
    2-aminoethanol 192.83
    morpholine-4-carbaldehyde 362.07
    sulfolane 450.55
    2,2,4-trimethylpentane 40.85
    2-methyltetrahydrofuran 494.53
    n-hexyl acetate 176.93
    isooctane 27.79
    2-(2-butoxyethoxy)ethanol 190.41
    sec-butyl acetate 99.38
    tert-butyl acetate 136.37
    decalin 47.33
    glycerin 177.85
    diglyme 302.15
    acrylic acid 153.96
    isopropyl myristate 76.38
    n-butyric acid 218.3
    acetyl acetate 123.65
    di(2-ethylhexyl) phthalate 80.6
    ethyl propionate 131.51
    nitromethane 264.64
    1,2-diethoxyethane 207.56
    benzonitrile 170.56
    trioctyl phosphate 63.41
    1-bromopropane 280.81
    gamma-valerolactone 435.06
    n-decanol 78.97
    triethyl phosphate 76.48
    4-methyl-2-pentanol 108.85
    propionitrile 207.98
    vinylene carbonate 226.71
    1,1,2-trichlorotrifluoroethane 234.01
    DMS 150.31
    cumene 81.97
    2-octanol 92.0
    2-hexanone 158.32
    octyl acetate 98.34
    limonene 96.74
    1,2-dimethoxyethane 408.35
    ethyl orthosilicate 76.0
    tributyl phosphate 76.94
    diacetone alcohol 150.88
    N,N-dimethylaniline 129.34
    acrylonitrile 209.33
    aniline 177.88
    1,3-propanediol 236.51
    bromobenzene 230.06
    dibromomethane 480.51
    1,1,2,2-tetrachloroethane 402.89
    2-methyl-cyclohexyl acetate 107.33
    tetrabutyl urea 90.54
    diisobutyl methanol 77.0
    2-phenylethanol 142.23
    styrene 103.73
    dioctyl adipate 92.22
    dimethyl sulfate 178.61
    ethyl butyrate 122.95
    methyl lactate 113.55
    butyl lactate 100.19
    diethyl carbonate 94.74
    propanediol butyl ether 144.45
    triethyl orthoformate 96.01
    p-tert-butyltoluene 65.25
    methyl 4-tert-butylbenzoate 125.5
    morpholine 434.1
    tert-butylamine 149.63
    n-dodecanol 64.33
    dimethoxymethane 360.84
    ethylene carbonate 206.84
    cyrene 149.06
    2-ethoxyethyl acetate 165.66
    2-ethylhexyl acetate 130.84
    1,2,4-trichlorobenzene 202.85
    4-methylpyridine 271.15
    dibutyl ether 141.82
    2,6-dimethyl-4-heptanol 77.0
    DEF 247.14
    dimethyl isosorbide 227.93
    tetrachloroethylene 314.88
    eugenol 134.76
    triacetin 124.05
    span 80 120.62
    1,4-butanediol 152.19
    1,1-dichloroethane 329.26
    2-methyl-1-pentanol 189.33
    methyl formate 218.01
    2-methyl-1-butanol 235.54
    n-decane 33.8
    butyronitrile 229.95
    3,7-dimethyl-1-octanol 108.8
    1-chlorooctane 97.25
    1-chlorotetradecane 43.46
    n-nonane 36.16
    undecane 26.91
    tert-butylcyclohexane 46.44
    cyclooctane 34.99
    cyclopentanol 261.67
    tetrahydropyran 409.28
    tert-amyl methyl ether 183.93
    2,5,8-trioxanonane 215.39
    1-hexene 170.89
    2-isopropoxyethanol 195.68
    2,2,2-trifluoroethanol 114.15
    methyl butyrate 169.6

    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