2-Heptylpyridine

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  • Identifiers

    CAS number
    20815-27-4

    Molecular formula
    C12H19N

    SMILES
    CCCCCCCC1=CC=CC=N1

  • Odor profile

    Fragrance
    Green 84.88%
    Fatty 65.3%
    Earthy 54.27%
    Vegetable 53.09%
    Herbal 45.95%
    Nutty 39.93%
    Floral 38.61%
    Metallic 36.9%
    Oily 36.06%
    Meaty 35.41%

     

    Flavor
    Green 75.1%
    Fatty 59.09%
    Herbal 48.61%
    Fat 38.12%
    Pepper 35.68%
    Mushroom 35.31%
    Fruity 34.2%
    Earthy 33.59%
    Floral 32.4%
    Waxy 32.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.25 (neutral)

    Molecular weight
    177.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 106.22 ˚C est.

  • Synonyms

    • 2-Heptylpyridine
    • 20815-27-4
    • M2P9P6W3VB
    • Pyridine, 2-heptyl-
    • 2-N-HEPTYLPYRIDINE
    • DTXSID10174928
    • EINECS 244-056-6
    • 2-heptyl-pyridine
    • UNII-M2P9P6W3VB
    • SCHEMBL919951
    • DTXCID4097419
    • SB53211
    • NS00026743
    • 244-056-6

  • Applications

    2-Heptylpyridine (CAS 20815-27-4) is used primarily as a chemical intermediate and building block in organic synthesis. In industry, it is often evaluated for the preparation of more complex pyridine-containing compounds for pharmaceuticals and agrochemicals. Its long heptyl side chain at position 2, together with the pyridine ring, can make it a potential odorant in fragrance applications, contributing to scent profiles in perfumery and cosmetics. It may also serve as a specialty solvent or processing aid in coatings and inks, and can function as a ligand or scaffold in organometallic catalysis for catalyst development. Additionally, it can act as a precursor in polymer and materials research and as a starting material for dye and specialty chemical production. Overall, applications depend on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6208.43
    methanol 4833.24
    isopropanol 4289.28
    water 0.03
    ethyl acetate 12143.99
    n-propanol 5311.88
    acetone 13197.23
    n-butanol 5446.03
    acetonitrile 7049.49
    DMF 5496.04
    toluene 4538.34
    isobutanol 3863.57
    1,4-dioxane 9028.54
    methyl acetate 6475.72
    THF 11237.93
    2-butanone 9771.92
    n-pentanol 3332.38
    sec-butanol 4060.17
    n-hexane 2253.01
    ethylene glycol 311.34
    NMP 2658.62
    cyclohexane 2864.07
    DMSO 9293.66
    n-butyl acetate 10467.13
    n-octanol 880.51
    chloroform 12468.86
    n-propyl acetate 5546.78
    acetic acid 2343.66
    dichloromethane 16491.12
    cyclohexanone 9922.69
    propylene glycol 608.22
    isopropyl acetate 5432.71
    DMAc 3316.34
    2-ethoxyethanol 3165.29
    isopentanol 4263.6
    n-heptane 1250.74
    ethyl formate 3936.93
    1,2-dichloroethane 14281.73
    n-hexanol 4909.4
    2-methoxyethanol 6007.13
    isobutyl acetate 2719.08
    tetrachloromethane 2059.44
    n-pentyl acetate 2526.77
    transcutol 11791.99
    n-heptanol 1000.86
    ethylbenzene 1413.64
    MIBK 3766.92
    2-propoxyethanol 5235.11
    tert-butanol 4375.18
    MTBE 8001.63
    2-butoxyethanol 1748.08
    propionic acid 2424.52
    o-xylene 1426.14
    formic acid 312.72
    diethyl ether 15515.05
    m-xylene 1924.15
    p-xylene 1447.05
    chlorobenzene 4146.44
    dimethyl carbonate 1306.98
    n-octane 299.62
    formamide 638.08
    cyclopentanone 7434.93
    2-pentanone 9615.76
    anisole 2387.69
    cyclopentyl methyl ether 6831.48
    gamma-butyrolactone 5964.27
    1-methoxy-2-propanol 4297.64
    pyridine 8257.69
    3-pentanone 6228.71
    furfural 3896.03
    n-dodecane 145.75
    diethylene glycol 1864.44
    diisopropyl ether 2900.67
    tert-amyl alcohol 3340.0
    acetylacetone 6179.0
    n-hexadecane 175.43
    acetophenone 1720.46
    methyl propionate 5702.72
    isopentyl acetate 6355.08
    trichloroethylene 14813.54
    n-nonanol 781.35
    cyclohexanol 3956.15
    benzyl alcohol 1488.24
    2-ethylhexanol 2878.5
    isooctanol 811.36
    dipropyl ether 7508.95
    1,2-dichlorobenzene 2743.78
    ethyl lactate 812.37
    propylene carbonate 3296.15
    n-methylformamide 2386.54
    2-pentanol 3860.76
    n-pentane 1703.64
    1-propoxy-2-propanol 4412.27
    1-methoxy-2-propyl acetate 4457.23
    2-(2-methoxypropoxy) propanol 1122.74
    mesitylene 1023.1
    ε-caprolactone 6424.91
    p-cymene 888.46
    epichlorohydrin 9340.06
    1,1,1-trichloroethane 8653.03
    2-aminoethanol 1029.04
    morpholine-4-carbaldehyde 3799.72
    sulfolane 5555.7
    2,2,4-trimethylpentane 408.52
    2-methyltetrahydrofuran 10616.11
    n-hexyl acetate 2828.83
    isooctane 346.98
    2-(2-butoxyethoxy)ethanol 2041.45
    sec-butyl acetate 3067.54
    tert-butyl acetate 4143.07
    decalin 658.92
    glycerin 592.3
    diglyme 4511.71
    acrylic acid 1307.88
    isopropyl myristate 860.18
    n-butyric acid 6070.77
    acetyl acetate 3616.24
    di(2-ethylhexyl) phthalate 513.18
    ethyl propionate 4032.28
    nitromethane 5152.52
    1,2-diethoxyethane 9931.74
    benzonitrile 2618.94
    trioctyl phosphate 427.47
    1-bromopropane 11113.09
    gamma-valerolactone 7127.13
    n-decanol 552.05
    triethyl phosphate 881.21
    4-methyl-2-pentanol 1454.54
    propionitrile 5800.22
    vinylene carbonate 2540.58
    1,1,2-trichlorotrifluoroethane 3283.71
    DMS 1666.26
    cumene 727.81
    2-octanol 634.96
    2-hexanone 5192.66
    octyl acetate 1022.12
    limonene 1962.07
    1,2-dimethoxyethane 7612.11
    ethyl orthosilicate 1027.42
    tributyl phosphate 685.27
    diacetone alcohol 2599.1
    N,N-dimethylaniline 1128.08
    acrylonitrile 4590.17
    aniline 3481.58
    1,3-propanediol 2108.09
    bromobenzene 5190.74
    dibromomethane 12576.12
    1,1,2,2-tetrachloroethane 10566.27
    2-methyl-cyclohexyl acetate 1722.36
    tetrabutyl urea 869.3
    diisobutyl methanol 1277.05
    2-phenylethanol 1847.95
    styrene 2267.94
    dioctyl adipate 993.17
    dimethyl sulfate 1490.66
    ethyl butyrate 5164.36
    methyl lactate 996.02
    butyl lactate 1226.83
    diethyl carbonate 2282.19
    propanediol butyl ether 995.21
    triethyl orthoformate 2404.51
    p-tert-butyltoluene 806.78
    methyl 4-tert-butylbenzoate 860.46
    morpholine 11240.63
    tert-butylamine 3544.78
    n-dodecanol 429.04
    dimethoxymethane 6466.99
    ethylene carbonate 2814.9
    cyrene 688.06
    2-ethoxyethyl acetate 3241.65
    2-ethylhexyl acetate 4705.17
    1,2,4-trichlorobenzene 2734.79
    4-methylpyridine 7719.88
    dibutyl ether 4478.84
    2,6-dimethyl-4-heptanol 1277.05
    DEF 6981.28
    dimethyl isosorbide 1955.7
    tetrachloroethylene 6794.71
    eugenol 792.5
    triacetin 1456.79
    span 80 1052.56
    1,4-butanediol 672.17
    1,1-dichloroethane 12773.01
    2-methyl-1-pentanol 2609.12
    methyl formate 1768.54
    2-methyl-1-butanol 3929.51
    n-decane 304.6
    butyronitrile 7451.26
    3,7-dimethyl-1-octanol 1185.54
    1-chlorooctane 1199.39
    1-chlorotetradecane 376.46
    n-nonane 355.71
    undecane 196.49
    tert-butylcyclohexane 564.22
    cyclooctane 746.32
    cyclopentanol 2829.01
    tetrahydropyran 14963.23
    tert-amyl methyl ether 4365.95
    2,5,8-trioxanonane 2169.46
    1-hexene 6597.82
    2-isopropoxyethanol 2168.14
    2,2,2-trifluoroethanol 388.41
    methyl butyrate 5681.83

    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