5-Hexyl-2-methyl pyridine

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  • Identifiers

    CAS number
    710-40-7

    Molecular formula
    C12H19N

    SMILES
    CCCCCCC1=CN=C(C=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 78.91%
    Fatty 56.47%
    Earthy 55.98%
    Nutty 43.14%
    Vegetable 42.2%
    Herbal 37.98%
    Roasted 36.3%
    Animal 35.97%
    Sweet 32.58%
    Musty 32.19%

     

    Flavor
    Green 45.41%
    Herbal 43.23%
    Fatty 43.21%
    Earthy 39.5%
    Nutty 36.56%
    Spicy 36.11%
    Woody 32.21%
    Pepper 31.59%
    Roasted 30.72%
    Musty 30.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.82 (neutral)

    Molecular weight
    177.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 105.39 ˚C est.

  • Synonyms

    • 5-Hexyl-2-methylpyridine
    • Pyridine, 5-hexyl-2-methyl-
    • 5-Hexyl-2-methyl pyridine
    • DTXSID2051392
    • RefChem:536108
    • DTXCID3029994
    • 414-530-9
    • 710-40-7
    • Pyridine,5-hexyl-2-methyl-
    • 5-Hexyl-2-methylpyridin
    • 5-Hexyl-2-methylpyridine #
    • SCHEMBL487755
    • Q63392443
    • 710-40-7

  • Applications

    5-Hexyl-2-methyl pyridine (CAS 710-40-7) is used as an organic-synthesis building block, commonly serving as an intermediate in the preparation of pharmaceutical and agrochemical compounds. In fragrance and cosmetic formulations, it may be employed as a fragrance ingredient or precursor. In coatings, inks, and dye applications, it provides a pyridine-containing building block for functional dyes and pigments. In polymer and materials science, it functions as a building block for functionalized pyridine derivatives used in advanced materials, and may act as a ligand or precursor in catalytic or coordination chemistry. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5545.11
    methanol 4474.42
    isopropanol 3605.71
    water 0.09
    ethyl acetate 10850.04
    n-propanol 4504.23
    acetone 11159.92
    n-butanol 4728.46
    acetonitrile 6544.2
    DMF 5967.06
    toluene 3444.12
    isobutanol 3392.45
    1,4-dioxane 8274.06
    methyl acetate 6081.06
    THF 8123.31
    2-butanone 8004.9
    n-pentanol 2806.08
    sec-butanol 3288.68
    n-hexane 1567.53
    ethylene glycol 358.14
    NMP 2246.97
    cyclohexane 1765.95
    DMSO 6132.13
    n-butyl acetate 8843.63
    n-octanol 741.48
    chloroform 10453.31
    n-propyl acetate 4337.27
    acetic acid 2263.04
    dichloromethane 11761.07
    cyclohexanone 7500.49
    propylene glycol 661.33
    isopropyl acetate 5280.4
    DMAc 3522.0
    2-ethoxyethanol 3223.28
    isopentanol 3815.17
    n-heptane 682.83
    ethyl formate 3700.54
    1,2-dichloroethane 10149.66
    n-hexanol 4334.36
    2-methoxyethanol 5965.6
    isobutyl acetate 2373.73
    tetrachloromethane 1795.95
    n-pentyl acetate 1996.63
    transcutol 10620.89
    n-heptanol 905.35
    ethylbenzene 1150.48
    MIBK 3133.06
    2-propoxyethanol 5391.94
    tert-butanol 4193.84
    MTBE 8011.75
    2-butoxyethanol 1644.03
    propionic acid 2284.22
    o-xylene 1220.69
    formic acid 389.5
    diethyl ether 12362.32
    m-xylene 1591.88
    p-xylene 1282.5
    chlorobenzene 3440.33
    dimethyl carbonate 1306.53
    n-octane 191.61
    formamide 702.52
    cyclopentanone 5495.99
    2-pentanone 7793.19
    anisole 2075.17
    cyclopentyl methyl ether 5010.72
    gamma-butyrolactone 4812.92
    1-methoxy-2-propanol 3968.82
    pyridine 6834.02
    3-pentanone 5229.06
    furfural 3544.55
    n-dodecane 103.92
    diethylene glycol 1980.31
    diisopropyl ether 2403.83
    tert-amyl alcohol 3271.33
    acetylacetone 5411.36
    n-hexadecane 124.64
    acetophenone 1432.62
    methyl propionate 5348.39
    isopentyl acetate 6152.19
    trichloroethylene 11953.57
    n-nonanol 637.05
    cyclohexanol 3021.41
    benzyl alcohol 1382.34
    2-ethylhexanol 2506.01
    isooctanol 713.28
    dipropyl ether 5466.42
    1,2-dichlorobenzene 2262.69
    ethyl lactate 803.4
    propylene carbonate 2803.44
    n-methylformamide 2423.49
    2-pentanol 3034.56
    n-pentane 1118.52
    1-propoxy-2-propanol 4032.69
    1-methoxy-2-propyl acetate 4372.18
    2-(2-methoxypropoxy) propanol 1092.67
    mesitylene 859.68
    ε-caprolactone 5129.05
    p-cymene 715.37
    epichlorohydrin 7404.38
    1,1,1-trichloroethane 7119.7
    2-aminoethanol 1087.3
    morpholine-4-carbaldehyde 3796.77
    sulfolane 4241.0
    2,2,4-trimethylpentane 340.81
    2-methyltetrahydrofuran 7513.75
    n-hexyl acetate 2376.54
    isooctane 278.49
    2-(2-butoxyethoxy)ethanol 1998.88
    sec-butyl acetate 2575.48
    tert-butyl acetate 4075.74
    decalin 486.45
    glycerin 681.07
    diglyme 4162.27
    acrylic acid 1355.38
    isopropyl myristate 729.31
    n-butyric acid 5429.46
    acetyl acetate 3306.3
    di(2-ethylhexyl) phthalate 475.6
    ethyl propionate 3432.92
    nitromethane 4772.69
    1,2-diethoxyethane 7814.66
    benzonitrile 2302.76
    trioctyl phosphate 382.77
    1-bromopropane 7437.26
    gamma-valerolactone 6448.35
    n-decanol 464.39
    triethyl phosphate 753.63
    4-methyl-2-pentanol 1319.0
    propionitrile 5268.83
    vinylene carbonate 2306.63
    1,1,2-trichlorotrifluoroethane 3084.01
    DMS 1618.24
    cumene 639.98
    2-octanol 561.0
    2-hexanone 3997.89
    octyl acetate 868.2
    limonene 1446.82
    1,2-dimethoxyethane 6858.79
    ethyl orthosilicate 902.85
    tributyl phosphate 610.99
    diacetone alcohol 2615.45
    N,N-dimethylaniline 1019.85
    acrylonitrile 4169.43
    aniline 3073.76
    1,3-propanediol 2239.49
    bromobenzene 4206.7
    dibromomethane 8734.21
    1,1,2,2-tetrachloroethane 8887.73
    2-methyl-cyclohexyl acetate 1487.59
    tetrabutyl urea 719.34
    diisobutyl methanol 1057.94
    2-phenylethanol 1777.83
    styrene 1764.05
    dioctyl adipate 830.87
    dimethyl sulfate 1377.09
    ethyl butyrate 3990.59
    methyl lactate 983.67
    butyl lactate 1074.44
    diethyl carbonate 1921.75
    propanediol butyl ether 963.44
    triethyl orthoformate 2001.57
    p-tert-butyltoluene 679.64
    methyl 4-tert-butylbenzoate 792.65
    morpholine 9775.68
    tert-butylamine 3288.66
    n-dodecanol 364.11
    dimethoxymethane 6001.66
    ethylene carbonate 2560.74
    cyrene 671.71
    2-ethoxyethyl acetate 2745.71
    2-ethylhexyl acetate 4377.77
    1,2,4-trichlorobenzene 2218.66
    4-methylpyridine 6840.13
    dibutyl ether 3058.04
    2,6-dimethyl-4-heptanol 1057.94
    DEF 6875.54
    dimethyl isosorbide 1807.35
    tetrachloroethylene 5682.59
    eugenol 762.28
    triacetin 1274.49
    span 80 1013.87
    1,4-butanediol 668.6
    1,1-dichloroethane 9811.3
    2-methyl-1-pentanol 2403.42
    methyl formate 1853.67
    2-methyl-1-butanol 3571.06
    n-decane 200.17
    butyronitrile 6259.99
    3,7-dimethyl-1-octanol 952.75
    1-chlorooctane 864.16
    1-chlorotetradecane 288.81
    n-nonane 221.9
    undecane 136.17
    tert-butylcyclohexane 455.78
    cyclooctane 462.51
    cyclopentanol 2110.74
    tetrahydropyran 11211.36
    tert-amyl methyl ether 4179.07
    2,5,8-trioxanonane 1977.47
    1-hexene 4691.75
    2-isopropoxyethanol 2133.23
    2,2,2-trifluoroethanol 452.3
    methyl butyrate 4787.16

    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