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

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  • Identifiers

    CAS number
    64608-63-5

    Molecular formula
    C9H10N2

    SMILES
    CC1=CN=C(C2=CC=CN12)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 72.53%
    Nutty 64.74%
    Burnt 57.36%
    Coffee 50.99%
    Earthy 50.82%
    Hazelnut 48.79%
    Musty 48.42%
    Cocoa 42.03%
    Potato 37.31%
    Meaty 33.88%

     

    Flavor
    Nutty 49.21%
    Roasted 48.39%
    Bitter 48.25%
    Cocoa 46.26%
    Coffee 44.82%
    Musty 37.33%
    Corn 37.02%
    Roast 34.73%
    Hazelnut 34.06%
    Burnt 33.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.01 (weak acid)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    295°C

    Flash point

    • 103.07 ˚C est.

  • Synonyms

    • 1,4-Dimethylpyrrolo[1,2-a]pyrazine
    • 64608-63-5
    • ES8H345X26
    • UNII-ES8H345X26
    • 1,4-Dimethylpyrrolo(1,2-a)pyrazine
    • Pyrrolo(1,2-a)pyrazine, 1,4-dimethyl-
    • Pyrrolo[1,2-a]pyrazine, 1,4-dimethyl-
    • SCHEMBL29934736
    • CHEBI:173617
    • DTXSID101288167
    • 1,4-dimethylpyrrolo[ 1,2-a]pyrazine
    • AKOS006370172
    • 64608-63-5

  • Applications

    1,4-Dimethylpyrrolo[1,2-a]pyrazine, CAS 64608-63-5, is used primarily as an odorant in perfumery and as a flavor/aroma contributor in the食品 sector, typically at very low concentrations; it may also function as an intermediate in organic synthesis for building more complex heterocycles; in cosmetics and personal care, it can be included as a fragrance ingredient; in household products such as cleaners and air fresheners, it helps shape the odor profile; industrially, it is a specialty intermediate that can feed into polymer/plastic formulation or other material syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.23
    methanol 349.77
    isopropanol 143.96
    water 21.7
    ethyl acetate 146.79
    n-propanol 187.96
    acetone 195.3
    n-butanol 185.14
    acetonitrile 159.12
    DMF 273.93
    toluene 126.07
    isobutanol 168.26
    1,4-dioxane 356.26
    methyl acetate 146.41
    THF 506.16
    2-butanone 171.33
    n-pentanol 160.81
    sec-butanol 156.28
    n-hexane 56.37
    ethylene glycol 102.83
    NMP 288.64
    cyclohexane 49.07
    DMSO 293.48
    n-butyl acetate 120.84
    n-octanol 80.1
    chloroform 515.66
    n-propyl acetate 96.82
    acetic acid 144.62
    dichloromethane 598.71
    cyclohexanone 246.21
    propylene glycol 83.69
    isopropyl acetate 92.77
    DMAc 231.62
    2-ethoxyethanol 228.13
    isopentanol 154.53
    n-heptane 36.4
    ethyl formate 132.42
    1,2-dichloroethane 303.06
    n-hexanol 150.9
    2-methoxyethanol 320.77
    isobutyl acetate 84.96
    tetrachloromethane 138.95
    n-pentyl acetate 97.91
    transcutol 311.74
    n-heptanol 82.84
    ethylbenzene 76.36
    MIBK 112.46
    2-propoxyethanol 246.42
    tert-butanol 141.18
    MTBE 147.72
    2-butoxyethanol 135.03
    propionic acid 116.62
    o-xylene 90.4
    formic acid 124.53
    diethyl ether 197.16
    m-xylene 97.93
    p-xylene 99.8
    chlorobenzene 169.01
    dimethyl carbonate 91.73
    n-octane 20.32
    formamide 120.64
    cyclopentanone 311.25
    2-pentanone 150.98
    anisole 135.15
    cyclopentyl methyl ether 254.48
    gamma-butyrolactone 328.94
    1-methoxy-2-propanol 210.52
    pyridine 219.31
    3-pentanone 141.37
    furfural 289.86
    n-dodecane 15.71
    diethylene glycol 211.88
    diisopropyl ether 70.94
    tert-amyl alcohol 145.35
    acetylacetone 150.99
    n-hexadecane 17.16
    acetophenone 113.3
    methyl propionate 142.64
    isopentyl acetate 114.2
    trichloroethylene 444.25
    n-nonanol 71.61
    cyclohexanol 151.95
    benzyl alcohol 114.45
    2-ethylhexanol 95.41
    isooctanol 73.52
    dipropyl ether 115.48
    1,2-dichlorobenzene 159.67
    ethyl lactate 72.99
    propylene carbonate 172.03
    n-methylformamide 173.57
    2-pentanol 123.07
    n-pentane 49.62
    1-propoxy-2-propanol 143.54
    1-methoxy-2-propyl acetate 114.12
    2-(2-methoxypropoxy) propanol 110.24
    mesitylene 66.38
    ε-caprolactone 205.28
    p-cymene 55.28
    epichlorohydrin 417.6
    1,1,1-trichloroethane 247.03
    2-aminoethanol 144.89
    morpholine-4-carbaldehyde 275.42
    sulfolane 348.41
    2,2,4-trimethylpentane 29.54
    2-methyltetrahydrofuran 348.58
    n-hexyl acetate 125.04
    isooctane 19.64
    2-(2-butoxyethoxy)ethanol 145.62
    sec-butyl acetate 75.27
    tert-butyl acetate 102.14
    decalin 34.83
    glycerin 127.16
    diglyme 236.98
    acrylic acid 110.56
    isopropyl myristate 59.01
    n-butyric acid 156.68
    acetyl acetate 86.44
    di(2-ethylhexyl) phthalate 64.06
    ethyl propionate 97.15
    nitromethane 191.93
    1,2-diethoxyethane 152.15
    benzonitrile 137.87
    trioctyl phosphate 49.23
    1-bromopropane 214.91
    gamma-valerolactone 326.3
    n-decanol 57.18
    triethyl phosphate 60.75
    4-methyl-2-pentanol 79.58
    propionitrile 155.82
    vinylene carbonate 171.35
    1,1,2-trichlorotrifluoroethane 185.06
    DMS 111.18
    cumene 66.45
    2-octanol 65.93
    2-hexanone 120.66
    octyl acetate 73.9
    limonene 73.72
    1,2-dimethoxyethane 317.03
    ethyl orthosilicate 60.86
    tributyl phosphate 59.54
    diacetone alcohol 117.18
    N,N-dimethylaniline 105.55
    acrylonitrile 163.05
    aniline 137.38
    1,3-propanediol 176.59
    bromobenzene 180.55
    dibromomethane 390.33
    1,1,2,2-tetrachloroethane 328.67
    2-methyl-cyclohexyl acetate 86.34
    tetrabutyl urea 73.18
    diisobutyl methanol 58.17
    2-phenylethanol 109.52
    styrene 83.5
    dioctyl adipate 72.83
    dimethyl sulfate 136.06
    ethyl butyrate 92.97
    methyl lactate 86.33
    butyl lactate 77.16
    diethyl carbonate 73.51
    propanediol butyl ether 104.19
    triethyl orthoformate 73.41
    p-tert-butyltoluene 51.79
    methyl 4-tert-butylbenzoate 102.02
    morpholine 305.8
    tert-butylamine 111.82
    n-dodecanol 46.8
    dimethoxymethane 267.12
    ethylene carbonate 152.61
    cyrene 121.68
    2-ethoxyethyl acetate 124.57
    2-ethylhexyl acetate 97.52
    1,2,4-trichlorobenzene 169.0
    4-methylpyridine 207.73
    dibutyl ether 100.65
    2,6-dimethyl-4-heptanol 58.17
    DEF 178.64
    dimethyl isosorbide 181.27
    tetrachloroethylene 253.35
    eugenol 109.91
    triacetin 95.46
    span 80 91.35
    1,4-butanediol 114.18
    1,1-dichloroethane 261.82
    2-methyl-1-pentanol 143.79
    methyl formate 163.46
    2-methyl-1-butanol 174.91
    n-decane 23.45
    butyronitrile 169.74
    3,7-dimethyl-1-octanol 77.24
    1-chlorooctane 68.98
    1-chlorotetradecane 32.02
    n-nonane 24.31
    undecane 18.79
    tert-butylcyclohexane 34.44
    cyclooctane 22.54
    cyclopentanol 186.12
    tetrahydropyran 275.89
    tert-amyl methyl ether 134.64
    2,5,8-trioxanonane 171.56
    1-hexene 119.06
    2-isopropoxyethanol 149.9
    2,2,2-trifluoroethanol 86.63
    methyl butyrate 126.4

    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