2-(3-Phenylpropyl)Pyridine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2110-18-1

    Molecular formula
    C14H15N

    SMILES
    C1=CC=C(C=C1)CCCC2=CC=CC=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.55%
    Earthy 63.12%
    Herbal 60.04%
    Vegetable 51.71%
    Metallic 44.8%
    Fresh 41.02%
    Leafy 39.82%
    Fatty 38.64%
    Floral 38.31%
    Cortex 35.41%

     

    Flavor
    Green 81.3%
    Fatty 36.72%
    Floral 36.59%
    Herbal 35.89%
    Waxy 35.16%
    Earthy 33.65%
    Leaf 32.77%
    Fruity 30.95%
    Mushroom 29.54%
    Sweet 29.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.58 (weak acid)

    Molecular weight
    197.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 142.00 to 143.00 °C. @ 1.00 mm Hg

    Flash point

    • 139.98 ˚C est.

    Solubility expt.

    • Soluble in fat; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(3-Phenylpropyl)Pyridine
    • 2110-18-1
    • Pyridine, 2-(3-phenylpropyl)-
    • cortex pyridine
    • FEMA No. 3751
    • 9F0BFM744F
    • alpha-(3-Phenylpropyl)pyridine
    • DTXSID7042356
    • MFCD00191237
    • UNII-9F0BFM744F
    • 2-PHENYLPROPYLPYRIDINE
    • DTXCID5022356
    • EINECS 218-300-7
    • .ALPHA.-(3-PHENYLPROPYL)PYRIDINE
    • 2-(3-PHENYLPROPYL)PYRIDINE [FHFI]
    • phenylpropylpyridine
    • 3-phenylpropyl pyridine
    • 2-(3-phenylpropyl)-pyridine
    • SCHEMBL272616
    • CHEMBL3186957
    • FEMA 3751
    • CHEBI:180819
    • Tox21_301773
    • AKOS000279623
    • 2-(3-Phenylpropyl)pyridine, >=97%
    • SB52525
    • NCGC00255724-01
    • AS-59829
    • CAS-2110-18-1
    • CS-0199027
    • NS00013149
    • P1327
    • D92110
    • Q27272464
    • 218-300-7

  • Applications

    2-(3-Phenylpropyl)Pyridine (CAS 2110-18-1) is used primarily as a synthetic intermediate in pharmaceutical development and in agrochemical research. It also serves as a building block or ligand in coordination chemistry for metal-catalyzed transformations in organic synthesis. Additionally, it is evaluated for fragrance applications and is considered a building block for advanced materials and organic electronic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.12
    methanol 394.3
    isopropanol 127.77
    water 0.08
    ethyl acetate 1175.78
    n-propanol 237.55
    acetone 922.25
    n-butanol 222.65
    acetonitrile 596.41
    DMF 496.08
    toluene 804.94
    isobutanol 137.45
    1,4-dioxane 1570.61
    methyl acetate 646.99
    THF 1487.07
    2-butanone 782.7
    n-pentanol 181.29
    sec-butanol 143.78
    n-hexane 83.41
    ethylene glycol 52.03
    NMP 354.11
    cyclohexane 123.23
    DMSO 1289.47
    n-butyl acetate 537.19
    n-octanol 50.1
    chloroform 2225.53
    n-propyl acetate 448.99
    acetic acid 308.62
    dichloromethane 3070.83
    cyclohexanone 890.15
    propylene glycol 68.06
    isopropyl acetate 423.34
    DMAc 574.17
    2-ethoxyethanol 353.09
    isopentanol 171.69
    n-heptane 59.44
    ethyl formate 373.37
    1,2-dichloroethane 2384.13
    n-hexanol 186.48
    2-methoxyethanol 524.28
    isobutyl acetate 257.81
    tetrachloromethane 195.65
    n-pentyl acetate 173.82
    transcutol 2076.74
    n-heptanol 55.61
    ethylbenzene 200.35
    MIBK 300.09
    2-propoxyethanol 384.41
    tert-butanol 149.98
    MTBE 372.91
    2-butoxyethanol 147.89
    propionic acid 216.95
    o-xylene 230.88
    formic acid 82.17
    diethyl ether 1292.96
    m-xylene 274.75
    p-xylene 190.74
    chlorobenzene 691.33
    dimethyl carbonate 263.87
    n-octane 15.31
    formamide 176.29
    cyclopentanone 941.09
    2-pentanone 670.01
    anisole 424.94
    cyclopentyl methyl ether 708.46
    gamma-butyrolactone 960.06
    1-methoxy-2-propanol 316.82
    pyridine 1568.68
    3-pentanone 673.9
    furfural 762.99
    n-dodecane 10.77
    diethylene glycol 234.53
    diisopropyl ether 184.74
    tert-amyl alcohol 144.58
    acetylacetone 738.4
    n-hexadecane 13.09
    acetophenone 299.71
    methyl propionate 686.66
    isopentyl acetate 404.27
    trichloroethylene 2749.36
    n-nonanol 53.23
    cyclohexanol 210.64
    benzyl alcohol 225.26
    2-ethylhexanol 146.67
    isooctanol 53.32
    dipropyl ether 525.42
    1,2-dichlorobenzene 479.19
    ethyl lactate 110.81
    propylene carbonate 430.7
    n-methylformamide 281.12
    2-pentanol 135.04
    n-pentane 52.16
    1-propoxy-2-propanol 273.06
    1-methoxy-2-propyl acetate 448.11
    2-(2-methoxypropoxy) propanol 213.6
    mesitylene 133.37
    ε-caprolactone 643.39
    p-cymene 95.11
    epichlorohydrin 1625.79
    1,1,1-trichloroethane 958.06
    2-aminoethanol 105.11
    morpholine-4-carbaldehyde 587.42
    sulfolane 834.52
    2,2,4-trimethylpentane 26.74
    2-methyltetrahydrofuran 882.18
    n-hexyl acetate 201.95
    isooctane 20.41
    2-(2-butoxyethoxy)ethanol 320.91
    sec-butyl acetate 271.48
    tert-butyl acetate 342.09
    decalin 58.07
    glycerin 109.24
    diglyme 738.08
    acrylic acid 199.36
    isopropyl myristate 93.37
    n-butyric acid 399.06
    acetyl acetate 472.51
    di(2-ethylhexyl) phthalate 86.24
    ethyl propionate 403.42
    nitromethane 809.43
    1,2-diethoxyethane 980.63
    benzonitrile 333.58
    trioctyl phosphate 50.5
    1-bromopropane 1079.7
    gamma-valerolactone 969.07
    n-decanol 42.21
    triethyl phosphate 139.41
    4-methyl-2-pentanol 82.65
    propionitrile 444.52
    vinylene carbonate 420.13
    1,1,2-trichlorotrifluoroethane 573.58
    DMS 269.51
    cumene 100.79
    2-octanol 34.1
    2-hexanone 376.49
    octyl acetate 105.84
    limonene 159.34
    1,2-dimethoxyethane 820.78
    ethyl orthosilicate 140.43
    tributyl phosphate 82.42
    diacetone alcohol 247.18
    N,N-dimethylaniline 202.89
    acrylonitrile 503.47
    aniline 518.14
    1,3-propanediol 158.46
    bromobenzene 857.08
    dibromomethane 1844.84
    1,1,2,2-tetrachloroethane 1905.56
    2-methyl-cyclohexyl acetate 214.49
    tetrabutyl urea 103.58
    diisobutyl methanol 93.03
    2-phenylethanol 193.77
    styrene 340.24
    dioctyl adipate 148.52
    dimethyl sulfate 338.58
    ethyl butyrate 431.36
    methyl lactate 138.51
    butyl lactate 111.58
    diethyl carbonate 248.45
    propanediol butyl ether 102.45
    triethyl orthoformate 248.95
    p-tert-butyltoluene 86.27
    methyl 4-tert-butylbenzoate 167.43
    morpholine 1292.78
    tert-butylamine 109.25
    n-dodecanol 36.09
    dimethoxymethane 833.39
    ethylene carbonate 377.33
    cyrene 166.79
    2-ethoxyethyl acetate 360.88
    2-ethylhexyl acetate 323.39
    1,2,4-trichlorobenzene 521.58
    4-methylpyridine 1048.67
    dibutyl ether 264.94
    2,6-dimethyl-4-heptanol 93.03
    DEF 688.97
    dimethyl isosorbide 380.44
    tetrachloroethylene 1155.53
    eugenol 163.15
    triacetin 247.26
    span 80 151.05
    1,4-butanediol 68.1
    1,1-dichloroethane 1277.81
    2-methyl-1-pentanol 171.88
    methyl formate 263.12
    2-methyl-1-butanol 171.11
    n-decane 17.51
    butyronitrile 425.66
    3,7-dimethyl-1-octanol 83.25
    1-chlorooctane 86.17
    1-chlorotetradecane 36.83
    n-nonane 17.22
    undecane 13.26
    tert-butylcyclohexane 45.38
    cyclooctane 43.19
    cyclopentanol 162.17
    tetrahydropyran 1306.91
    tert-amyl methyl ether 285.61
    2,5,8-trioxanonane 453.54
    1-hexene 309.1
    2-isopropoxyethanol 219.35
    2,2,2-trifluoroethanol 79.19
    methyl butyrate 482.13

    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