2-Isopentylpyridine

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  • Identifiers

    CAS number
    6973-66-6

    Molecular formula
    C10H15N

    SMILES
    CC(C)CCC1=CC=CC=N1

  • Odor profile

    Fragrance
    Green 85.7%
    Earthy 57.59%
    Vegetable 45.75%
    Herbal 44.38%
    Animal 39.49%
    Leafy 38.87%
    Metallic 35.4%
    Nutty 32.66%
    Cortex 30.23%
    Woody 30.07%

     

    Flavor
    Green 81.81%
    Herbal 57.66%
    Pepper 40.81%
    Earthy 33.71%
    Vegetable 30.34%
    Spice 27.94%
    Fatty 26.89%
    Musty 26.83%
    Leaf 25.82%
    Spicy 25.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.02 (neutral)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 73.26 ˚C est.

  • Synonyms

    • 2-Isopentylpyridine
    • 6973-66-6
    • 2-(3-methylbutyl)pyridine
    • 2-isoamylpyridine
    • Pyridine, 2-(3-methylbutyl)-
    • L9T6H77RXC
    • EINECS 230-218-3
    • NSC-42632
    • DTXSID30220032
    • NSC 42632
    • isoamyl-pyridine
    • NSC42632
    • UNII-L9T6H77RXC
    • SCHEMBL574013
    • DTXCID30142523
    • DB-344035
    • NS00036941
    • 230-218-3

  • Applications

    2-Isopentylpyridine is a specialized intermediate used in the synthesis of more complex pyridine-containing compounds. In industry, it may be employed as an odorant and fragrance precursor for perfumery and cosmetics; as a building block for polymers and materials containing pyridine used in coatings, paints, and inks; as an intermediate for the synthesis of pharmaceuticals and agrochemicals; and it can be evaluated as a ligand or precursor for catalyst systems and materials in materials science and electronics. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 689.88
    methanol 492.19
    isopropanol 462.81
    water 0.27
    ethyl acetate 655.82
    n-propanol 563.08
    acetone 598.49
    n-butanol 629.41
    acetonitrile 364.0
    DMF 587.63
    toluene 467.85
    isobutanol 410.14
    1,4-dioxane 990.61
    methyl acetate 465.52
    THF 1085.88
    2-butanone 560.16
    n-pentanol 412.23
    sec-butanol 403.2
    n-hexane 167.03
    ethylene glycol 103.88
    NMP 342.36
    cyclohexane 227.03
    DMSO 594.38
    n-butyl acetate 1011.88
    n-octanol 185.01
    chloroform 1814.28
    n-propyl acetate 338.18
    acetic acid 360.0
    dichloromethane 1330.55
    cyclohexanone 782.56
    propylene glycol 212.07
    isopropyl acetate 362.48
    DMAc 445.3
    2-ethoxyethanol 367.84
    isopentanol 484.1
    n-heptane 165.46
    ethyl formate 371.53
    1,2-dichloroethane 828.5
    n-hexanol 931.06
    2-methoxyethanol 651.72
    isobutyl acetate 246.81
    tetrachloromethane 275.57
    n-pentyl acetate 239.41
    transcutol 1383.9
    n-heptanol 226.25
    ethylbenzene 195.11
    MIBK 272.42
    2-propoxyethanol 924.86
    tert-butanol 488.47
    MTBE 512.27
    2-butoxyethanol 329.17
    propionic acid 353.67
    o-xylene 211.18
    formic acid 79.07
    diethyl ether 668.93
    m-xylene 260.81
    p-xylene 228.77
    chlorobenzene 530.72
    dimethyl carbonate 145.35
    n-octane 39.35
    formamide 92.02
    cyclopentanone 699.96
    2-pentanone 534.36
    anisole 300.6
    cyclopentyl methyl ether 542.97
    gamma-butyrolactone 629.22
    1-methoxy-2-propanol 544.91
    pyridine 917.33
    3-pentanone 368.8
    furfural 650.09
    n-dodecane 30.27
    diethylene glycol 475.52
    diisopropyl ether 175.38
    tert-amyl alcohol 373.02
    acetylacetone 438.0
    n-hexadecane 34.23
    acetophenone 250.42
    methyl propionate 408.36
    isopentyl acetate 682.68
    trichloroethylene 1460.01
    n-nonanol 158.11
    cyclohexanol 449.0
    benzyl alcohol 272.97
    2-ethylhexanol 500.83
    isooctanol 160.79
    dipropyl ether 647.69
    1,2-dichlorobenzene 386.46
    ethyl lactate 143.24
    propylene carbonate 467.15
    n-methylformamide 248.57
    2-pentanol 377.84
    n-pentane 141.82
    1-propoxy-2-propanol 728.32
    1-methoxy-2-propyl acetate 572.42
    2-(2-methoxypropoxy) propanol 275.45
    mesitylene 142.83
    ε-caprolactone 593.26
    p-cymene 176.08
    epichlorohydrin 843.36
    1,1,1-trichloroethane 738.52
    2-aminoethanol 249.69
    morpholine-4-carbaldehyde 560.56
    sulfolane 566.13
    2,2,4-trimethylpentane 56.72
    2-methyltetrahydrofuran 808.23
    n-hexyl acetate 322.84
    isooctane 43.34
    2-(2-butoxyethoxy)ethanol 412.47
    sec-butyl acetate 231.62
    tert-butyl acetate 327.27
    decalin 85.16
    glycerin 218.42
    diglyme 723.95
    acrylic acid 256.16
    isopropyl myristate 132.69
    n-butyric acid 734.95
    acetyl acetate 303.32
    di(2-ethylhexyl) phthalate 135.7
    ethyl propionate 279.7
    nitromethane 394.29
    1,2-diethoxyethane 645.71
    benzonitrile 398.69
    trioctyl phosphate 95.28
    1-bromopropane 652.28
    gamma-valerolactone 813.97
    n-decanol 122.53
    triethyl phosphate 149.74
    4-methyl-2-pentanol 202.35
    propionitrile 471.0
    vinylene carbonate 427.29
    1,1,2-trichlorotrifluoroethane 554.74
    DMS 229.15
    cumene 124.6
    2-octanol 123.27
    2-hexanone 368.12
    octyl acetate 162.83
    limonene 282.57
    1,2-dimethoxyethane 684.44
    ethyl orthosilicate 163.05
    tributyl phosphate 122.86
    diacetone alcohol 308.94
    N,N-dimethylaniline 195.89
    acrylonitrile 447.11
    aniline 447.89
    1,3-propanediol 355.21
    bromobenzene 577.88
    dibromomethane 993.39
    1,1,2,2-tetrachloroethane 1164.24
    2-methyl-cyclohexyl acetate 292.37
    tetrabutyl urea 158.53
    diisobutyl methanol 221.94
    2-phenylethanol 405.37
    styrene 270.66
    dioctyl adipate 183.1
    dimethyl sulfate 165.19
    ethyl butyrate 479.61
    methyl lactate 187.09
    butyl lactate 200.48
    diethyl carbonate 268.92
    propanediol butyl ether 259.76
    triethyl orthoformate 310.0
    p-tert-butyltoluene 168.02
    methyl 4-tert-butylbenzoate 199.97
    morpholine 1076.16
    tert-butylamine 389.42
    n-dodecanol 100.8
    dimethoxymethane 487.83
    ethylene carbonate 402.33
    cyrene 189.78
    2-ethoxyethyl acetate 327.4
    2-ethylhexyl acetate 539.53
    1,2,4-trichlorobenzene 420.83
    4-methylpyridine 823.14
    dibutyl ether 331.46
    2,6-dimethyl-4-heptanol 221.94
    DEF 496.63
    dimethyl isosorbide 416.36
    tetrachloroethylene 763.52
    eugenol 209.3
    triacetin 239.52
    span 80 278.22
    1,4-butanediol 146.38
    1,1-dichloroethane 850.45
    2-methyl-1-pentanol 331.88
    methyl formate 193.79
    2-methyl-1-butanol 429.41
    n-decane 46.87
    butyronitrile 600.87
    3,7-dimethyl-1-octanol 197.89
    1-chlorooctane 160.19
    1-chlorotetradecane 70.79
    n-nonane 48.31
    undecane 36.47
    tert-butylcyclohexane 76.03
    cyclooctane 80.49
    cyclopentanol 369.5
    tetrahydropyran 1092.2
    tert-amyl methyl ether 344.53
    2,5,8-trioxanonane 445.83
    1-hexene 485.74
    2-isopropoxyethanol 275.76
    2,2,2-trifluoroethanol 83.74
    methyl butyrate 401.6

    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