Pyrazine, 2-hexyl-3-methoxy

  • Identifiers

    Molecular formula
    C11H18N2O

    SMILES
    CCCCCCC1=NC=CN=C1OC

  • Odor profile

    Fragrance
    Green 74.66%
    Earthy 50.96%
    Nutty 39.9%
    Vegetable 38.93%
    Roasted 32.19%
    Fatty 27.89%
    Musty 27.51%
    Leafy 24.44%
    Herbal 23.74%
    Metallic 22.45%

     

    Flavor
    Green 62.27%
    Earthy 48.22%
    Pepper 45.45%
    Herbal 39.07%
    Musty 35.85%
    Fatty 35.66%
    Pea 31.75%
    Nutty 30.97%
    Earth 30.79%
    Mushroom 30.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.13 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 129.1 ˚C est.

  • Synonyms

    • Pyrazine, 2-hexyl-3-methoxy
    • 2-methoxy-3-hexylpyrazine
    • CHEMBL320144
    • SCHEMBL20873451
    • GMDSOYPKWWYSJC-UHFFFAOYSA-N
    • 2,7-Dibenzyl-1,8-diphenyl-2,7-octanediol
  • Applications

    Pyrazine, 2-hexyl-3-methoxy is primarily valued for its aroma and is typically used as an odorant and fragrance intermediate. In perfumery and fragrance formulations it serves as a scent component or fixative; in flavor applications it is evaluated as a flavor/aroma ingredient in processed foods, subject to regulatory limits; in cosmetics and personal care it may be used as a fragrance ingredient; in household products such as cleaners and air fresheners it contributes aroma; in industrial manufacturing it acts as an intermediate for synthesizing other pyrazine-based fragrance compounds; and in coatings and inks it may be added as a fragrance additive, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3614.16
    methanol 5229.61
    isopropanol 2051.91
    water 0.61
    ethyl acetate 5565.13
    n-propanol 2838.91
    acetone 7390.89
    n-butanol 2476.86
    acetonitrile 5009.61
    DMF 5663.32
    toluene 1606.42
    isobutanol 1983.19
    1,4-dioxane 3089.79
    methyl acetate 3666.07
    THF 3525.38
    2-butanone 4189.14
    n-pentanol 1185.87
    sec-butanol 1830.17
    n-hexane 101.3
    ethylene glycol 639.38
    NMP 3481.61
    cyclohexane 352.7
    DMSO 8576.31
    n-butyl acetate 3163.46
    n-octanol 278.14
    chloroform 9280.46
    n-propyl acetate 2107.83
    acetic acid 5544.41
    dichloromethane 13035.86
    cyclohexanone 6005.62
    propylene glycol 697.35
    isopropyl acetate 2377.69
    DMAc 2669.98
    2-ethoxyethanol 2032.81
    isopentanol 1820.71
    n-heptane 60.76
    ethyl formate 3573.43
    1,2-dichloroethane 9473.96
    n-hexanol 1163.99
    2-methoxyethanol 4849.42
    isobutyl acetate 1022.71
    tetrachloromethane 1253.35
    n-pentyl acetate 1182.8
    transcutol 5574.42
    n-heptanol 361.69
    ethylbenzene 469.35
    MIBK 1438.8
    2-propoxyethanol 2021.12
    tert-butanol 2195.85
    MTBE 2378.82
    2-butoxyethanol 898.36
    propionic acid 2767.97
    o-xylene 724.87
    formic acid 1728.91
    diethyl ether 2773.59
    m-xylene 808.47
    p-xylene 672.0
    chlorobenzene 3176.19
    dimethyl carbonate 1225.78
    n-octane 25.92
    formamide 3101.92
    cyclopentanone 5108.73
    2-pentanone 3622.99
    anisole 1028.57
    cyclopentyl methyl ether 2312.39
    gamma-butyrolactone 6083.48
    1-methoxy-2-propanol 2620.02
    pyridine 4704.96
    3-pentanone 2345.28
    furfural 4984.6
    n-dodecane 19.81
    diethylene glycol 1459.32
    diisopropyl ether 521.24
    tert-amyl alcohol 1847.17
    acetylacetone 3869.9
    n-hexadecane 24.45
    acetophenone 1108.47
    methyl propionate 3373.64
    isopentyl acetate 2172.05
    trichloroethylene 15273.12
    n-nonanol 244.79
    cyclohexanol 2142.32
    benzyl alcohol 1141.46
    2-ethylhexanol 629.36
    isooctanol 315.88
    dipropyl ether 793.39
    1,2-dichlorobenzene 2450.68
    ethyl lactate 597.65
    propylene carbonate 3082.1
    n-methylformamide 4195.05
    2-pentanol 1346.3
    n-pentane 120.28
    1-propoxy-2-propanol 1406.42
    1-methoxy-2-propyl acetate 1843.81
    2-(2-methoxypropoxy) propanol 607.05
    mesitylene 430.91
    ε-caprolactone 4130.15
    p-cymene 302.91
    epichlorohydrin 7483.42
    1,1,1-trichloroethane 6040.46
    2-aminoethanol 1397.79
    morpholine-4-carbaldehyde 2999.99
    sulfolane 6365.2
    2,2,4-trimethylpentane 92.27
    2-methyltetrahydrofuran 3293.18
    n-hexyl acetate 1192.12
    isooctane 61.26
    2-(2-butoxyethoxy)ethanol 1052.51
    sec-butyl acetate 1157.85
    tert-butyl acetate 1906.65
    decalin 112.42
    glycerin 977.24
    diglyme 2304.67
    acrylic acid 2492.1
    isopropyl myristate 302.87
    n-butyric acid 5259.31
    acetyl acetate 2863.77
    di(2-ethylhexyl) phthalate 320.5
    ethyl propionate 1606.52
    nitromethane 9713.69
    1,2-diethoxyethane 2034.39
    benzonitrile 2168.23
    trioctyl phosphate 242.15
    1-bromopropane 3688.87
    gamma-valerolactone 6143.0
    n-decanol 172.77
    triethyl phosphate 412.45
    4-methyl-2-pentanol 551.87
    propionitrile 3115.75
    vinylene carbonate 2850.15
    1,1,2-trichlorotrifluoroethane 4642.35
    DMS 1073.49
    cumene 280.94
    2-octanol 245.88
    2-hexanone 1578.88
    octyl acetate 431.07
    limonene 525.1
    1,2-dimethoxyethane 3000.77
    ethyl orthosilicate 405.37
    tributyl phosphate 375.41
    diacetone alcohol 1656.77
    N,N-dimethylaniline 520.81
    acrylonitrile 4414.19
    aniline 2326.56
    1,3-propanediol 2216.68
    bromobenzene 3581.75
    dibromomethane 7472.74
    1,1,2,2-tetrachloroethane 9584.76
    2-methyl-cyclohexyl acetate 700.19
    tetrabutyl urea 443.72
    diisobutyl methanol 319.25
    2-phenylethanol 1002.42
    styrene 780.55
    dioctyl adipate 455.67
    dimethyl sulfate 1714.24
    ethyl butyrate 1460.64
    methyl lactate 1054.27
    butyl lactate 772.1
    diethyl carbonate 847.13
    propanediol butyl ether 759.31
    triethyl orthoformate 699.1
    p-tert-butyltoluene 262.46
    methyl 4-tert-butylbenzoate 620.95
    morpholine 4133.96
    tert-butylamine 1187.63
    n-dodecanol 133.71
    dimethoxymethane 2915.99
    ethylene carbonate 2615.03
    cyrene 633.45
    2-ethoxyethyl acetate 1665.71
    2-ethylhexyl acetate 1489.65
    1,2,4-trichlorobenzene 2541.28
    4-methylpyridine 4327.27
    dibutyl ether 573.65
    2,6-dimethyl-4-heptanol 319.25
    DEF 4064.45
    dimethyl isosorbide 1170.18
    tetrachloroethylene 6178.19
    eugenol 651.16
    triacetin 821.26
    span 80 576.49
    1,4-butanediol 700.69
    1,1-dichloroethane 7572.43
    2-methyl-1-pentanol 1101.91
    methyl formate 3435.07
    2-methyl-1-butanol 1930.24
    n-decane 33.71
    butyronitrile 3428.45
    3,7-dimethyl-1-octanol 364.4
    1-chlorooctane 269.94
    1-chlorotetradecane 91.76
    n-nonane 32.6
    undecane 24.42
    tert-butylcyclohexane 93.08
    cyclooctane 73.02
    cyclopentanol 1735.19
    tetrahydropyran 3841.8
    tert-amyl methyl ether 1380.72
    2,5,8-trioxanonane 1097.47
    1-hexene 565.61
    2-isopropoxyethanol 1139.92
    2,2,2-trifluoroethanol 1518.07
    methyl butyrate 2687.07

    Scent© AI

1 of 4
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