5-Sec-butyl-2,3-dimethylpyrazine, 98%

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  • Identifiers

    CAS number
    32263-00-6

    Molecular formula
    C10H16N2

    SMILES
    CCC(C)C1=CN=C(C(=N1)C)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Nutty 62.21%
    Roasted 59.99%
    Earthy 56.91%
    Burnt 52.18%
    Cocoa 44.16%
    Musty 43.54%
    Hazelnut 41.75%
    Green 41.62%
    Coffee 39.93%
    Potato 39.77%

     

    Flavor
    Green 51.24%
    Earthy 48.89%
    Musty 45.38%
    Nutty 39.94%
    Pepper 39.66%
    Earth 38.49%
    Roasted 35.4%
    Hazelnut 35.14%
    Herbal 34.46%
    Cocoa 31.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.6 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 88.87 ˚C est.

  • Synonyms

    • 5-(sec-Butyl)-2,3-dimethylpyrazine
    • 32263-00-6
    • 2,3-Dimethyl-5-sec-butylpyrazine
    • Pyrazine, 5-sec-butyl-2,3-dimethyl-
    • 5-(butan-2-yl)-2,3-dimethylpyrazine
    • Pyrazine, 2,3-dimethyl-5-(1-methylpropyl)-
    • Pyrazine,5-butyl-2,3-dimethyl-
    • 5-sec-Butyl-2,3-dimethylpyrazine
    • 5-sec-butyl-2,3-dimethyl pyrazine
    • 2,3-DIMETHYL-5-SEC BUTYL PYRAZINE
    • SCHEMBL9952088
    • DTXSID80935907
    • ZTPIKPFNCVSISS-UHFFFAOYSA-N
    • AKOS006290966
    • 5-sec-Butyl-2,3-dimethylpyrazine, 98%
    • 2,3-dimethyl-5-(1-methylpropyl)-pyrazine
    • DB-086748
    • NS00113947
    • 662-691-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.44
    methanol 238.7
    isopropanol 245.13
    water 1.04
    ethyl acetate 257.54
    n-propanol 291.32
    acetone 288.7
    n-butanol 295.21
    acetonitrile 252.69
    DMF 375.26
    toluene 338.41
    isobutanol 275.31
    1,4-dioxane 531.28
    methyl acetate 278.34
    THF 628.24
    2-butanone 353.56
    n-pentanol 235.23
    sec-butanol 289.68
    n-hexane 96.95
    ethylene glycol 35.04
    NMP 401.38
    cyclohexane 174.2
    DMSO 259.23
    n-butyl acetate 482.66
    n-octanol 187.69
    chloroform 1874.08
    n-propyl acetate 224.19
    acetic acid 242.48
    dichloromethane 1487.37
    cyclohexanone 645.18
    propylene glycol 67.2
    isopropyl acetate 178.18
    DMAc 366.21
    2-ethoxyethanol 190.32
    isopentanol 280.48
    n-heptane 77.45
    ethyl formate 284.32
    1,2-dichloroethane 666.52
    n-hexanol 337.48
    2-methoxyethanol 280.82
    isobutyl acetate 181.12
    tetrachloromethane 422.26
    n-pentyl acetate 253.23
    transcutol 489.22
    n-heptanol 203.94
    ethylbenzene 216.17
    MIBK 171.28
    2-propoxyethanol 292.13
    tert-butanol 263.23
    MTBE 310.57
    2-butoxyethanol 234.72
    propionic acid 201.55
    o-xylene 232.12
    formic acid 61.66
    diethyl ether 281.14
    m-xylene 208.67
    p-xylene 339.63
    chlorobenzene 523.12
    dimethyl carbonate 88.4
    n-octane 44.07
    formamide 89.92
    cyclopentanone 571.79
    2-pentanone 245.0
    anisole 241.11
    cyclopentyl methyl ether 327.81
    gamma-butyrolactone 567.92
    1-methoxy-2-propanol 203.85
    pyridine 698.71
    3-pentanone 226.8
    furfural 609.37
    n-dodecane 35.27
    diethylene glycol 153.99
    diisopropyl ether 101.78
    tert-amyl alcohol 300.6
    acetylacetone 238.8
    n-hexadecane 40.69
    acetophenone 248.41
    methyl propionate 195.7
    isopentyl acetate 416.45
    trichloroethylene 1310.02
    n-nonanol 161.15
    cyclohexanol 310.01
    benzyl alcohol 232.67
    2-ethylhexanol 256.29
    isooctanol 162.54
    dipropyl ether 205.85
    1,2-dichlorobenzene 467.92
    ethyl lactate 98.06
    propylene carbonate 422.09
    n-methylformamide 186.11
    2-pentanol 195.2
    n-pentane 78.01
    1-propoxy-2-propanol 254.73
    1-methoxy-2-propyl acetate 248.4
    2-(2-methoxypropoxy) propanol 184.46
    mesitylene 141.26
    ε-caprolactone 450.78
    p-cymene 184.01
    epichlorohydrin 636.76
    1,1,1-trichloroethane 793.69
    2-aminoethanol 92.37
    morpholine-4-carbaldehyde 379.61
    sulfolane 512.84
    2,2,4-trimethylpentane 57.15
    2-methyltetrahydrofuran 529.43
    n-hexyl acetate 313.46
    isooctane 34.92
    2-(2-butoxyethoxy)ethanol 228.68
    sec-butyl acetate 156.77
    tert-butyl acetate 181.6
    decalin 79.24
    glycerin 75.67
    diglyme 388.42
    acrylic acid 175.4
    isopropyl myristate 127.08
    n-butyric acid 341.27
    acetyl acetate 194.47
    di(2-ethylhexyl) phthalate 142.06
    ethyl propionate 168.7
    nitromethane 304.74
    1,2-diethoxyethane 284.13
    benzonitrile 428.61
    trioctyl phosphate 101.59
    1-bromopropane 497.49
    gamma-valerolactone 606.3
    n-decanol 121.24
    triethyl phosphate 130.41
    4-methyl-2-pentanol 123.84
    propionitrile 301.75
    vinylene carbonate 423.53
    1,1,2-trichlorotrifluoroethane 375.09
    DMS 200.66
    cumene 167.13
    2-octanol 155.74
    2-hexanone 253.02
    octyl acetate 162.28
    limonene 231.76
    1,2-dimethoxyethane 381.65
    ethyl orthosilicate 131.53
    tributyl phosphate 120.1
    diacetone alcohol 177.3
    N,N-dimethylaniline 198.9
    acrylonitrile 325.38
    aniline 312.36
    1,3-propanediol 163.85
    bromobenzene 610.35
    dibromomethane 1043.09
    1,1,2,2-tetrachloroethane 1111.46
    2-methyl-cyclohexyl acetate 224.49
    tetrabutyl urea 146.28
    diisobutyl methanol 127.57
    2-phenylethanol 297.97
    styrene 259.52
    dioctyl adipate 173.61
    dimethyl sulfate 129.8
    ethyl butyrate 257.38
    methyl lactate 92.67
    butyl lactate 173.09
    diethyl carbonate 185.8
    propanediol butyl ether 180.98
    triethyl orthoformate 187.24
    p-tert-butyltoluene 162.1
    methyl 4-tert-butylbenzoate 215.59
    morpholine 510.18
    tert-butylamine 212.64
    n-dodecanol 96.79
    dimethoxymethane 201.95
    ethylene carbonate 352.57
    cyrene 175.94
    2-ethoxyethyl acetate 255.52
    2-ethylhexyl acetate 356.28
    1,2,4-trichlorobenzene 495.34
    4-methylpyridine 666.17
    dibutyl ether 224.14
    2,6-dimethyl-4-heptanol 127.57
    DEF 284.26
    dimethyl isosorbide 328.13
    tetrachloroethylene 806.94
    eugenol 210.75
    triacetin 204.33
    span 80 192.45
    1,4-butanediol 79.1
    1,1-dichloroethane 752.37
    2-methyl-1-pentanol 247.7
    methyl formate 175.15
    2-methyl-1-butanol 295.46
    n-decane 57.69
    butyronitrile 367.52
    3,7-dimethyl-1-octanol 171.44
    1-chlorooctane 178.15
    1-chlorotetradecane 75.97
    n-nonane 57.6
    undecane 43.73
    tert-butylcyclohexane 75.89
    cyclooctane 57.88
    cyclopentanol 308.28
    tetrahydropyran 592.66
    tert-amyl methyl ether 238.42
    2,5,8-trioxanonane 259.46
    1-hexene 247.48
    2-isopropoxyethanol 157.16
    2,2,2-trifluoroethanol 93.02
    methyl butyrate 266.56

    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