3,5-Dimethyl-2-pentylpyrazine

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  • Identifiers

    CAS number
    50888-62-5

    Molecular formula
    C11H18N2

    SMILES
    CCCCCC1=NC=C(N=C1C)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 49.46%
    Roasted 46.34%
    Earthy 45.94%
    Burnt 41.32%
    Musty 38.77%
    Sweet 38.46%
    Hazelnut 34.86%
    Cocoa 31.08%
    Chocolate 27.32%
    Animal 26.05%

     

    Flavor
    Earthy 49.69%
    Roasted 43.36%
    Nutty 40.88%
    Musty 40.26%
    Green 36.91%
    Meaty 35.55%
    Pepper 34.97%
    Herbal 32.68%
    Woody 31.79%
    Burnt 31.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.52 (weak acid)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 108.28 ˚C est.

  • Synonyms

    • 3,5-DIMETHYL-2-PENTYLPYRAZINE
    • 50888-62-5
    • DTXSID50591352
    • RefChem:271906
    • DTXCID40542116
    • JHECZRZZPVHFGJ-UHFFFAOYSA-N
    • dimethylpentylpyrazine
    • SCHEMBL7115027
    • AKOS006370177
    • Pyrazine,3,5-dimethyl-2-pentyl-(9ci)
    • DB-289042
    • PYRAZINE, 3,5-DIMETHYL-2-PENTYL-
    • 50888-62-5

  • Applications

    3,5-Dimethyl-2-pentylpyrazine (CAS 50888-62-5) is primarily used as an odorant and flavoring ingredient, contributing roasted, nutty, cocoa-like notes in fragrance and flavor applications. It may be used in cosmetics and personal care as a fragrance component, and in household products such as air fresheners and cleaners to impart scent. In industrial manufacturing, it can serve as an intermediate in the synthesis of other fragrance compounds and may be evaluated for use as a fragrance additive in coatings and inks, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1415.68
    methanol 1680.73
    isopropanol 816.76
    water 0.59
    ethyl acetate 1806.44
    n-propanol 1106.92
    acetone 1988.85
    n-butanol 1251.95
    acetonitrile 1140.09
    DMF 1958.07
    toluene 1081.91
    isobutanol 958.68
    1,4-dioxane 1991.39
    methyl acetate 1180.57
    THF 2504.94
    2-butanone 1499.7
    n-pentanol 839.16
    sec-butanol 876.03
    n-hexane 443.44
    ethylene glycol 156.37
    NMP 1856.2
    cyclohexane 639.23
    DMSO 1807.68
    n-butyl acetate 2682.79
    n-octanol 368.36
    chloroform 4741.93
    n-propyl acetate 977.5
    acetic acid 1304.74
    dichloromethane 4802.45
    cyclohexanone 2719.77
    propylene glycol 213.72
    isopropyl acetate 1192.89
    DMAc 1518.89
    2-ethoxyethanol 802.02
    isopentanol 1181.82
    n-heptane 208.43
    ethyl formate 1151.61
    1,2-dichloroethane 2891.62
    n-hexanol 1345.11
    2-methoxyethanol 1504.21
    isobutyl acetate 748.16
    tetrachloromethane 963.62
    n-pentyl acetate 884.8
    transcutol 2941.82
    n-heptanol 434.06
    ethylbenzene 448.28
    MIBK 864.91
    2-propoxyethanol 1545.77
    tert-butanol 1022.67
    MTBE 1595.61
    2-butoxyethanol 694.59
    propionic acid 821.93
    o-xylene 549.28
    formic acid 335.86
    diethyl ether 1917.15
    m-xylene 635.42
    p-xylene 615.74
    chlorobenzene 1559.66
    dimethyl carbonate 448.94
    n-octane 73.54
    formamide 391.93
    cyclopentanone 2238.14
    2-pentanone 1499.22
    anisole 669.83
    cyclopentyl methyl ether 1561.8
    gamma-butyrolactone 2288.8
    1-methoxy-2-propanol 996.1
    pyridine 1866.16
    3-pentanone 1160.43
    furfural 1852.54
    n-dodecane 49.86
    diethylene glycol 740.51
    diisopropyl ether 551.01
    tert-amyl alcohol 1001.02
    acetylacetone 1435.38
    n-hexadecane 60.45
    acetophenone 628.05
    methyl propionate 1157.69
    isopentyl acetate 2058.6
    trichloroethylene 4719.75
    n-nonanol 321.54
    cyclohexanol 1267.81
    benzyl alcohol 580.86
    2-ethylhexanol 934.8
    isooctanol 346.13
    dipropyl ether 1120.74
    1,2-dichlorobenzene 1327.24
    ethyl lactate 308.26
    propylene carbonate 1494.63
    n-methylformamide 785.45
    2-pentanol 818.05
    n-pentane 308.27
    1-propoxy-2-propanol 1202.08
    1-methoxy-2-propyl acetate 1298.63
    2-(2-methoxypropoxy) propanol 535.11
    mesitylene 397.83
    ε-caprolactone 1928.24
    p-cymene 359.59
    epichlorohydrin 2508.65
    1,1,1-trichloroethane 2548.28
    2-aminoethanol 365.03
    morpholine-4-carbaldehyde 1506.91
    sulfolane 2269.97
    2,2,4-trimethylpentane 159.67
    2-methyltetrahydrofuran 2211.76
    n-hexyl acetate 1003.64
    isooctane 102.11
    2-(2-butoxyethoxy)ethanol 764.63
    sec-butyl acetate 733.89
    tert-butyl acetate 1056.33
    decalin 229.41
    glycerin 288.88
    diglyme 1418.53
    acrylic acid 680.49
    isopropyl myristate 346.13
    n-butyric acid 1778.0
    acetyl acetate 1110.5
    di(2-ethylhexyl) phthalate 325.28
    ethyl propionate 787.39
    nitromethane 1634.37
    1,2-diethoxyethane 1717.15
    benzonitrile 1095.35
    trioctyl phosphate 241.38
    1-bromopropane 2037.48
    gamma-valerolactone 2447.45
    n-decanol 238.98
    triethyl phosphate 362.06
    4-methyl-2-pentanol 476.82
    propionitrile 1112.28
    vinylene carbonate 1241.39
    1,1,2-trichlorotrifluoroethane 1389.26
    DMS 705.3
    cumene 303.94
    2-octanol 300.39
    2-hexanone 1021.94
    octyl acetate 436.83
    limonene 642.68
    1,2-dimethoxyethane 1714.65
    ethyl orthosilicate 408.54
    tributyl phosphate 366.97
    diacetone alcohol 778.58
    N,N-dimethylaniline 458.36
    acrylonitrile 1084.49
    aniline 1053.29
    1,3-propanediol 685.96
    bromobenzene 1911.08
    dibromomethane 3310.0
    1,1,2,2-tetrachloroethane 3704.18
    2-methyl-cyclohexyl acetate 692.53
    tetrabutyl urea 418.55
    diisobutyl methanol 410.29
    2-phenylethanol 806.28
    styrene 612.39
    dioctyl adipate 438.28
    dimethyl sulfate 622.31
    ethyl butyrate 1111.57
    methyl lactate 351.25
    butyl lactate 542.38
    diethyl carbonate 628.76
    propanediol butyl ether 497.11
    triethyl orthoformate 709.52
    p-tert-butyltoluene 329.89
    methyl 4-tert-butylbenzoate 471.31
    morpholine 2079.32
    tert-butylamine 776.53
    n-dodecanol 187.0
    dimethoxymethane 1323.62
    ethylene carbonate 1233.6
    cyrene 442.66
    2-ethoxyethyl acetate 1039.79
    2-ethylhexyl acetate 1601.8
    1,2,4-trichlorobenzene 1292.66
    4-methylpyridine 2040.08
    dibutyl ether 829.75
    2,6-dimethyl-4-heptanol 410.29
    DEF 1759.81
    dimethyl isosorbide 974.34
    tetrachloroethylene 2593.77
    eugenol 500.61
    triacetin 577.49
    span 80 513.46
    1,4-butanediol 294.77
    1,1-dichloroethane 2661.93
    2-methyl-1-pentanol 886.71
    methyl formate 751.42
    2-methyl-1-butanol 1192.89
    n-decane 88.08
    butyronitrile 1543.53
    3,7-dimethyl-1-octanol 433.36
    1-chlorooctane 391.53
    1-chlorotetradecane 139.74
    n-nonane 91.31
    undecane 63.4
    tert-butylcyclohexane 199.3
    cyclooctane 185.86
    cyclopentanol 964.25
    tetrahydropyran 2479.69
    tert-amyl methyl ether 1105.77
    2,5,8-trioxanonane 822.8
    1-hexene 1034.47
    2-isopropoxyethanol 607.91
    2,2,2-trifluoroethanol 384.65
    methyl butyrate 1189.0

    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