2-Butyl-6-methylpyridine

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  • Identifiers

    CAS number
    5335-76-2

    Molecular formula
    C10H15N

    SMILES
    CCCCC1=CC=CC(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 76.98%
    Earthy 50.87%
    Vegetable 46.28%
    Herbal 45.72%
    Fatty 44.84%
    Animal 44.08%
    Nutty 44.04%
    Roasted 39.52%
    Fishy 38.61%
    Musty 34.41%

     

    Flavor
    Green 56.77%
    Roasted 42.57%
    Earthy 40.58%
    Nutty 40.33%
    Herbal 39.73%
    Fatty 38.32%
    Spicy 36.63%
    Meaty 33.31%
    Woody 32.29%
    Pepper 31.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.29 (neutral)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 75.8 ˚C est.

  • Synonyms

    • 2-butyl-6-methylpyridine
    • 5335-76-2
    • NSC-971
    • NSC971
    • 6-Butyl-2-picoline
    • 2-Picoline, 6-butyl-
    • 4WE9KNY4EA
    • 2-n-butyl-6-methylpyridine
    • 2n-butyl-6-methyl-pyridine
    • SCHEMBL681574
    • Pyridine, 2-butyl-6-methyl-
    • SCHEMBL6194712
    • 6-BUTYL-2-METHYLPYRIDINE
    • DTXSID00277154
    • NSC 971
    • 5335-76-2

  • Applications

    2-Butyl-6-methylpyridine (CAS 5335-76-2) is primarily regarded as a building block and intermediate in chemical synthesis for the pharmaceutical and agrochemical sectors. It is commonly used as an intermediate to prepare pharmaceutical and agrochemical compounds, and can function as a ligand or precursor in metal-catalyzed industrial reactions. The pyridine scaffold also makes it a candidate for fragrance/odorant development as a precursor, and for use as a building block in materials and polymer development. In broader industrial practice, it may appear as a processing intermediate or additive in coatings/inks and cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1608.36
    methanol 1738.12
    isopropanol 964.48
    water 0.49
    ethyl acetate 1367.79
    n-propanol 1270.06
    acetone 1667.9
    n-butanol 1401.65
    acetonitrile 954.92
    DMF 1547.22
    toluene 1036.09
    isobutanol 952.94
    1,4-dioxane 2143.47
    methyl acetate 976.19
    THF 2540.22
    2-butanone 1153.72
    n-pentanol 964.91
    sec-butanol 902.06
    n-hexane 822.85
    ethylene glycol 218.45
    NMP 1281.91
    cyclohexane 971.97
    DMSO 1650.06
    n-butyl acetate 1972.09
    n-octanol 531.51
    chloroform 4452.14
    n-propyl acetate 732.88
    acetic acid 979.97
    dichloromethane 3626.79
    cyclohexanone 1980.56
    propylene glycol 325.46
    isopropyl acetate 775.65
    DMAc 1138.62
    2-ethoxyethanol 707.96
    isopentanol 1089.58
    n-heptane 486.04
    ethyl formate 788.35
    1,2-dichloroethane 2142.66
    n-hexanol 1921.46
    2-methoxyethanol 1315.71
    isobutyl acetate 542.42
    tetrachloromethane 789.6
    n-pentyl acetate 633.86
    transcutol 2313.04
    n-heptanol 511.13
    ethylbenzene 421.51
    MIBK 640.24
    2-propoxyethanol 1631.69
    tert-butanol 1074.47
    MTBE 1356.91
    2-butoxyethanol 635.64
    propionic acid 784.97
    o-xylene 422.71
    formic acid 226.67
    diethyl ether 2002.28
    m-xylene 495.62
    p-xylene 501.21
    chlorobenzene 1266.48
    dimethyl carbonate 339.58
    n-octane 141.89
    formamide 244.5
    cyclopentanone 1661.89
    2-pentanone 1168.2
    anisole 618.99
    cyclopentyl methyl ether 1418.36
    gamma-butyrolactone 1526.05
    1-methoxy-2-propanol 900.01
    pyridine 1908.58
    3-pentanone 909.34
    furfural 1196.84
    n-dodecane 97.56
    diethylene glycol 766.77
    diisopropyl ether 517.58
    tert-amyl alcohol 906.79
    acetylacetone 969.4
    n-hexadecane 110.62
    acetophenone 481.73
    methyl propionate 864.4
    isopentyl acetate 1397.99
    trichloroethylene 3349.31
    n-nonanol 427.06
    cyclohexanol 1117.14
    benzyl alcohol 540.11
    2-ethylhexanol 1077.39
    isooctanol 368.8
    dipropyl ether 1368.73
    1,2-dichlorobenzene 904.0
    ethyl lactate 253.9
    propylene carbonate 987.54
    n-methylformamide 606.05
    2-pentanol 829.86
    n-pentane 544.5
    1-propoxy-2-propanol 1181.71
    1-methoxy-2-propyl acetate 948.55
    2-(2-methoxypropoxy) propanol 489.78
    mesitylene 297.45
    ε-caprolactone 1431.26
    p-cymene 310.44
    epichlorohydrin 1718.9
    1,1,1-trichloroethane 1821.2
    2-aminoethanol 452.02
    morpholine-4-carbaldehyde 1170.61
    sulfolane 1471.39
    2,2,4-trimethylpentane 168.98
    2-methyltetrahydrofuran 2023.29
    n-hexyl acetate 903.01
    isooctane 123.82
    2-(2-butoxyethoxy)ethanol 730.19
    sec-butyl acetate 463.05
    tert-butyl acetate 686.35
    decalin 267.25
    glycerin 379.41
    diglyme 1214.46
    acrylic acid 584.57
    isopropyl myristate 326.14
    n-butyric acid 1533.65
    acetyl acetate 716.66
    di(2-ethylhexyl) phthalate 293.68
    ethyl propionate 585.52
    nitromethane 1030.21
    1,2-diethoxyethane 1366.61
    benzonitrile 890.55
    trioctyl phosphate 221.58
    1-bromopropane 1902.75
    gamma-valerolactone 1604.46
    n-decanol 313.19
    triethyl phosphate 279.91
    4-methyl-2-pentanol 435.98
    propionitrile 1083.54
    vinylene carbonate 902.42
    1,1,2-trichlorotrifluoroethane 1073.98
    DMS 521.61
    cumene 266.03
    2-octanol 337.86
    2-hexanone 891.7
    octyl acetate 401.56
    limonene 604.14
    1,2-dimethoxyethane 1550.89
    ethyl orthosilicate 314.64
    tributyl phosphate 303.49
    diacetone alcohol 580.65
    N,N-dimethylaniline 421.05
    acrylonitrile 922.31
    aniline 978.83
    1,3-propanediol 702.9
    bromobenzene 1476.12
    dibromomethane 2818.74
    1,1,2,2-tetrachloroethane 2708.48
    2-methyl-cyclohexyl acetate 565.68
    tetrabutyl urea 377.28
    diisobutyl methanol 427.86
    2-phenylethanol 762.13
    styrene 630.06
    dioctyl adipate 398.49
    dimethyl sulfate 415.01
    ethyl butyrate 860.96
    methyl lactate 309.51
    butyl lactate 415.14
    diethyl carbonate 468.57
    propanediol butyl ether 509.49
    triethyl orthoformate 553.72
    p-tert-butyltoluene 302.81
    methyl 4-tert-butylbenzoate 395.16
    morpholine 2241.14
    tert-butylamine 874.82
    n-dodecanol 257.79
    dimethoxymethane 1151.37
    ethylene carbonate 867.69
    cyrene 360.49
    2-ethoxyethyl acetate 686.84
    2-ethylhexyl acetate 1113.43
    1,2,4-trichlorobenzene 879.56
    4-methylpyridine 1777.12
    dibutyl ether 929.22
    2,6-dimethyl-4-heptanol 427.86
    DEF 1276.5
    dimethyl isosorbide 752.41
    tetrachloroethylene 1910.63
    eugenol 395.37
    triacetin 497.68
    span 80 518.85
    1,4-butanediol 306.9
    1,1-dichloroethane 2179.84
    2-methyl-1-pentanol 817.57
    methyl formate 492.54
    2-methyl-1-butanol 1055.18
    n-decane 165.39
    butyronitrile 1403.08
    3,7-dimethyl-1-octanol 507.05
    1-chlorooctane 491.55
    1-chlorotetradecane 193.92
    n-nonane 189.6
    undecane 120.83
    tert-butylcyclohexane 225.72
    cyclooctane 272.22
    cyclopentanol 933.91
    tetrahydropyran 2743.51
    tert-amyl methyl ether 852.79
    2,5,8-trioxanonane 779.11
    1-hexene 1570.57
    2-isopropoxyethanol 514.67
    2,2,2-trifluoroethanol 225.78
    methyl butyrate 852.53

    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