1-Methylpyrrolo(1,2-a)pyrazine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64608-59-9

    Molecular formula
    C8H8N2

    SMILES
    CC1=NC=CN2C1=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Roasted 77.33%
    Nutty 73.49%
    Burnt 58.87%
    Coffee 56.16%
    Musty 55.4%
    Hazelnut 51.85%
    Earthy 51.68%
    Cocoa 43.28%
    Potato 42.48%
    Meaty 38.69%

     

    Flavor
    Nutty 64.18%
    Roasted 57.39%
    Coffee 54.25%
    Cocoa 48.59%
    Corn 46.88%
    Musty 42.6%
    Hazelnut 41.2%
    Roast 40.99%
    Peanut 40.64%
    Nut 40.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.97 (weak acid)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 108.82 ˚C est.

  • Synonyms

    • 1-Methylpyrrolo[1,2-a]pyrazine
    • 64608-59-9
    • DTXSID401306273
    • 1-Methylpyrrolo(1,2-a)pyrazine
    • RefChem:1055896
    • DTXCID901736239
    • SCHEMBL8829202
    • SCHEMBL15068495
    • CHEBI:173355
    • AKOS006327288
    • AB52834
    • NS00113810
    • InChI=1/C8H8N2/c1-7-8-3-2-5-10(8)6-4-9-7/h2-6H,1H
    • 64608-59-9

  • Applications

    1-Methylpyrrolo(1,2-a)pyrazine is primarily used as an odorant and aroma contributor in fragrance and flavor applications, providing nutty, roasted, and green notes in perfumery, cosmetics, and food-related flavor systems. It is commonly evaluated as a fragrance ingredient for personal care and household products and as a flavor/aroma additive in food contexts. Additionally, it can serve as an intermediate in the synthesis of other heterocyclic compounds for pharmaceuticals and agrochemicals, making it of interest as a building block in industrial manufacturing of specialty chemicals. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.08
    methanol 459.87
    isopropanol 169.23
    water 31.4
    ethyl acetate 150.51
    n-propanol 242.84
    acetone 197.1
    n-butanol 223.59
    acetonitrile 211.44
    DMF 244.21
    toluene 113.37
    isobutanol 193.45
    1,4-dioxane 234.9
    methyl acetate 129.62
    THF 457.59
    2-butanone 179.26
    n-pentanol 182.65
    sec-butanol 177.65
    n-hexane 37.55
    ethylene glycol 106.44
    NMP 226.58
    cyclohexane 42.78
    DMSO 261.43
    n-butyl acetate 79.3
    n-octanol 35.67
    chloroform 417.78
    n-propyl acetate 62.57
    acetic acid 210.36
    dichloromethane 541.88
    cyclohexanone 207.76
    propylene glycol 79.62
    isopropyl acetate 65.8
    DMAc 183.58
    2-ethoxyethanol 229.07
    isopentanol 160.76
    n-heptane 25.24
    ethyl formate 130.56
    1,2-dichloroethane 289.87
    n-hexanol 112.38
    2-methoxyethanol 330.13
    isobutyl acetate 46.12
    tetrachloromethane 97.96
    n-pentyl acetate 55.29
    transcutol 348.52
    n-heptanol 45.52
    ethylbenzene 37.94
    MIBK 74.73
    2-propoxyethanol 174.14
    tert-butanol 131.95
    MTBE 112.9
    2-butoxyethanol 85.17
    propionic acid 129.51
    o-xylene 60.17
    formic acid 244.37
    diethyl ether 230.49
    m-xylene 60.46
    p-xylene 49.92
    chlorobenzene 135.82
    dimethyl carbonate 55.82
    n-octane 9.41
    formamide 235.92
    cyclopentanone 239.75
    2-pentanone 146.93
    anisole 81.41
    cyclopentyl methyl ether 193.0
    gamma-butyrolactone 248.79
    1-methoxy-2-propanol 169.52
    pyridine 266.01
    3-pentanone 138.42
    furfural 243.45
    n-dodecane 6.12
    diethylene glycol 156.33
    diisopropyl ether 48.27
    tert-amyl alcohol 132.17
    acetylacetone 99.16
    n-hexadecane 6.65
    acetophenone 67.26
    methyl propionate 126.96
    isopentyl acetate 69.35
    trichloroethylene 383.65
    n-nonanol 33.84
    cyclohexanol 147.9
    benzyl alcohol 93.44
    2-ethylhexanol 60.31
    isooctanol 38.62
    dipropyl ether 87.72
    1,2-dichlorobenzene 102.91
    ethyl lactate 39.48
    propylene carbonate 110.44
    n-methylformamide 221.07
    2-pentanol 124.09
    n-pentane 44.22
    1-propoxy-2-propanol 98.66
    1-methoxy-2-propyl acetate 71.69
    2-(2-methoxypropoxy) propanol 76.85
    mesitylene 33.68
    ε-caprolactone 150.22
    p-cymene 28.91
    epichlorohydrin 359.96
    1,1,1-trichloroethane 181.44
    2-aminoethanol 171.49
    morpholine-4-carbaldehyde 211.57
    sulfolane 230.8
    2,2,4-trimethylpentane 17.03
    2-methyltetrahydrofuran 328.56
    n-hexyl acetate 57.58
    isooctane 9.26
    2-(2-butoxyethoxy)ethanol 105.91
    sec-butyl acetate 45.04
    tert-butyl acetate 55.56
    decalin 16.62
    glycerin 111.01
    diglyme 171.43
    acrylic acid 121.09
    isopropyl myristate 29.91
    n-butyric acid 180.57
    acetyl acetate 61.73
    di(2-ethylhexyl) phthalate 35.73
    ethyl propionate 65.66
    nitromethane 242.8
    1,2-diethoxyethane 140.5
    benzonitrile 107.53
    trioctyl phosphate 24.65
    1-bromopropane 217.44
    gamma-valerolactone 253.73
    n-decanol 27.27
    triethyl phosphate 35.45
    4-methyl-2-pentanol 57.78
    propionitrile 185.49
    vinylene carbonate 112.28
    1,1,2-trichlorotrifluoroethane 146.24
    DMS 58.9
    cumene 30.99
    2-octanol 30.03
    2-hexanone 84.79
    octyl acetate 36.38
    limonene 42.51
    1,2-dimethoxyethane 226.5
    ethyl orthosilicate 36.28
    tributyl phosphate 34.08
    diacetone alcohol 72.56
    N,N-dimethylaniline 59.12
    acrylonitrile 177.52
    aniline 152.82
    1,3-propanediol 199.03
    bromobenzene 127.91
    dibromomethane 354.44
    1,1,2,2-tetrachloroethane 241.09
    2-methyl-cyclohexyl acetate 50.0
    tetrabutyl urea 41.55
    diisobutyl methanol 33.2
    2-phenylethanol 72.07
    styrene 51.62
    dioctyl adipate 40.26
    dimethyl sulfate 72.22
    ethyl butyrate 60.55
    methyl lactate 55.22
    butyl lactate 42.0
    diethyl carbonate 45.66
    propanediol butyl ether 55.08
    triethyl orthoformate 47.04
    p-tert-butyltoluene 25.68
    methyl 4-tert-butylbenzoate 54.57
    morpholine 282.84
    tert-butylamine 101.0
    n-dodecanol 22.62
    dimethoxymethane 202.54
    ethylene carbonate 100.53
    cyrene 81.94
    2-ethoxyethyl acetate 84.52
    2-ethylhexyl acetate 59.26
    1,2,4-trichlorobenzene 105.0
    4-methylpyridine 203.5
    dibutyl ether 58.57
    2,6-dimethyl-4-heptanol 33.2
    DEF 142.27
    dimethyl isosorbide 119.58
    tetrachloroethylene 204.16
    eugenol 63.98
    triacetin 53.58
    span 80 56.15
    1,4-butanediol 114.73
    1,1-dichloroethane 236.84
    2-methyl-1-pentanol 141.79
    methyl formate 156.47
    2-methyl-1-butanol 180.03
    n-decane 9.41
    butyronitrile 198.95
    3,7-dimethyl-1-octanol 41.52
    1-chlorooctane 29.81
    1-chlorotetradecane 13.8
    n-nonane 9.77
    undecane 7.29
    tert-butylcyclohexane 14.61
    cyclooctane 16.0
    cyclopentanol 186.28
    tetrahydropyran 264.47
    tert-amyl methyl ether 98.34
    2,5,8-trioxanonane 132.23
    1-hexene 89.72
    2-isopropoxyethanol 124.82
    2,2,2-trifluoroethanol 92.82
    methyl butyrate 81.95

    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