Pyridine, 4-[1(4-,5 or 6)-methylbicyclo[2.2.1]hept-5-en-2-yl]-

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  • Identifiers

    CAS number
    862079-91-2

    Molecular formula
    C13H15N

    SMILES
    CC1=CC2CC1CC2C3=CC=NC=C3

    Safety labels

  • Odor profile

    Fragrance
    Green 75.56%
    Herbal 56.31%
    Earthy 48.41%
    Woody 46.57%
    Fresh 42.74%
    Floral 38.22%
    Animal 36.89%
    Sweet 36.3%
    Leafy 36.15%
    Cortex 33.5%

     

    Flavor
    Herbal 35.38%
    Bitter 31.78%
    Woody 30.03%
    Wood 29.28%
    Herb 26.94%
    Spice 24.4%
    Earthy 24.18%
    Animal 23.37%
    Sweet 21.74%
    Cereal 21.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.3 (neutral)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 113.55 ˚C est.

  • Synonyms

    • Pyridine, 4-[1(4-,5 or 6)-methylbicyclo[2.2.1]hept-5-en-2-yl]-
    • Pyridine, 4-(1(4-,5 or 6)-methylbicyclo(2.2.1)hept-5-en-2-yl)-
    • RefChem:870661
    • 862079-91-2
    • SCHEMBL19808796
    • DYJDKLWLJIUGOW-UHFFFAOYSA-N
    • DTXSID401006645
    • 4-(5-Methylbicyclo[2.2.1]hept-5-en-2-yl)pyridine
    • 862079-91-2

  • Applications

    Pyridine, 4-[1(4-,5 or 6)-methylbicyclo[2.2.1]hept-5-en-2-yl]- (CAS 862079-91-2) is primarily used as a functional building block in polymer chemistry and organic synthesis: as a ROMP monomer enabling high-performance polymers for coatings, adhesives, and composites; as a functional monomer for UV-curable coatings and inks; as a synthetic intermediate for pyridine-containing libraries in pharmaceutical or agrochemical discovery; as a ligand or building block in coordination chemistry and catalysis; and as a potential component in electronic or optoelectronic materials where the pyridine ring and the rigid norbornene moiety aid property tuning.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.2
    methanol 473.67
    isopropanol 316.87
    water 2.0
    ethyl acetate 1136.75
    n-propanol 453.6
    acetone 927.68
    n-butanol 435.32
    acetonitrile 496.82
    DMF 645.92
    toluene 876.61
    isobutanol 291.91
    1,4-dioxane 2013.07
    methyl acetate 736.87
    THF 1156.76
    2-butanone 682.05
    n-pentanol 176.62
    sec-butanol 183.54
    n-hexane 16.53
    ethylene glycol 160.52
    NMP 205.21
    cyclohexane 72.52
    DMSO 394.29
    n-butyl acetate 397.43
    n-octanol 62.99
    chloroform 2061.15
    n-propyl acetate 260.38
    acetic acid 314.04
    dichloromethane 1693.24
    cyclohexanone 657.37
    propylene glycol 159.66
    isopropyl acetate 535.27
    DMAc 436.63
    2-ethoxyethanol 405.87
    isopentanol 363.64
    n-heptane 22.66
    ethyl formate 422.43
    1,2-dichloroethane 1062.68
    n-hexanol 254.82
    2-methoxyethanol 885.45
    isobutyl acetate 191.49
    tetrachloromethane 235.44
    n-pentyl acetate 136.32
    transcutol 1952.1
    n-heptanol 85.5
    ethylbenzene 164.82
    MIBK 328.77
    2-propoxyethanol 667.65
    tert-butanol 298.99
    MTBE 431.02
    2-butoxyethanol 235.02
    propionic acid 284.84
    o-xylene 270.29
    formic acid 151.03
    diethyl ether 944.15
    m-xylene 389.82
    p-xylene 201.04
    chlorobenzene 585.46
    dimethyl carbonate 373.67
    n-octane 8.46
    formamide 258.21
    cyclopentanone 619.75
    2-pentanone 634.87
    anisole 381.69
    cyclopentyl methyl ether 524.85
    gamma-butyrolactone 632.42
    1-methoxy-2-propanol 574.62
    pyridine 1254.88
    3-pentanone 515.0
    furfural 628.93
    n-dodecane 8.42
    diethylene glycol 533.44
    diisopropyl ether 193.7
    tert-amyl alcohol 160.96
    acetylacetone 755.38
    n-hexadecane 10.03
    acetophenone 267.45
    methyl propionate 707.27
    isopentyl acetate 330.79
    trichloroethylene 1787.27
    n-nonanol 66.34
    cyclohexanol 289.28
    benzyl alcohol 285.75
    2-ethylhexanol 133.84
    isooctanol 74.61
    dipropyl ether 246.94
    1,2-dichlorobenzene 404.77
    ethyl lactate 120.7
    propylene carbonate 347.78
    n-methylformamide 382.37
    2-pentanol 215.46
    n-pentane 31.42
    1-propoxy-2-propanol 351.97
    1-methoxy-2-propyl acetate 568.46
    2-(2-methoxypropoxy) propanol 234.32
    mesitylene 177.31
    ε-caprolactone 494.5
    p-cymene 94.85
    epichlorohydrin 1065.11
    1,1,1-trichloroethane 744.64
    2-aminoethanol 266.63
    morpholine-4-carbaldehyde 587.35
    sulfolane 332.06
    2,2,4-trimethylpentane 19.27
    2-methyltetrahydrofuran 688.05
    n-hexyl acetate 178.53
    isooctane 19.83
    2-(2-butoxyethoxy)ethanol 389.94
    sec-butyl acetate 211.32
    tert-butyl acetate 374.93
    decalin 28.3
    glycerin 230.24
    diglyme 827.4
    acrylic acid 263.39
    isopropyl myristate 85.07
    n-butyric acid 516.83
    acetyl acetate 557.5
    di(2-ethylhexyl) phthalate 91.1
    ethyl propionate 275.43
    nitromethane 693.69
    1,2-diethoxyethane 693.92
    benzonitrile 351.82
    trioctyl phosphate 54.66
    1-bromopropane 534.26
    gamma-valerolactone 947.82
    n-decanol 55.87
    triethyl phosphate 101.73
    4-methyl-2-pentanol 152.21
    propionitrile 454.29
    vinylene carbonate 449.25
    1,1,2-trichlorotrifluoroethane 555.65
    DMS 306.78
    cumene 98.1
    2-octanol 47.23
    2-hexanone 201.31
    octyl acetate 97.58
    limonene 118.94
    1,2-dimethoxyethane 675.84
    ethyl orthosilicate 105.7
    tributyl phosphate 76.23
    diacetone alcohol 293.44
    N,N-dimethylaniline 169.74
    acrylonitrile 542.49
    aniline 659.42
    1,3-propanediol 391.37
    bromobenzene 682.23
    dibromomethane 1014.09
    1,1,2,2-tetrachloroethane 1144.87
    2-methyl-cyclohexyl acetate 163.84
    tetrabutyl urea 84.94
    diisobutyl methanol 92.7
    2-phenylethanol 285.94
    styrene 232.7
    dioctyl adipate 114.86
    dimethyl sulfate 292.78
    ethyl butyrate 250.38
    methyl lactate 215.85
    butyl lactate 118.2
    diethyl carbonate 177.91
    propanediol butyl ether 166.05
    triethyl orthoformate 182.76
    p-tert-butyltoluene 94.5
    methyl 4-tert-butylbenzoate 173.71
    morpholine 1566.97
    tert-butylamine 190.98
    n-dodecanol 47.88
    dimethoxymethane 942.91
    ethylene carbonate 404.69
    cyrene 157.46
    2-ethoxyethyl acetate 377.69
    2-ethylhexyl acetate 244.62
    1,2,4-trichlorobenzene 433.84
    4-methylpyridine 896.88
    dibutyl ether 133.49
    2,6-dimethyl-4-heptanol 92.7
    DEF 503.22
    dimethyl isosorbide 336.64
    tetrachloroethylene 799.5
    eugenol 169.67
    triacetin 224.33
    span 80 155.92
    1,4-butanediol 119.46
    1,1-dichloroethane 926.36
    2-methyl-1-pentanol 162.76
    methyl formate 332.37
    2-methyl-1-butanol 266.29
    n-decane 12.55
    butyronitrile 421.53
    3,7-dimethyl-1-octanol 96.37
    1-chlorooctane 57.25
    1-chlorotetradecane 28.87
    n-nonane 10.54
    undecane 9.93
    tert-butylcyclohexane 25.3
    cyclooctane 26.15
    cyclopentanol 208.03
    tetrahydropyran 1216.02
    tert-amyl methyl ether 219.97
    2,5,8-trioxanonane 484.1
    1-hexene 75.08
    2-isopropoxyethanol 259.38
    2,2,2-trifluoroethanol 153.66
    methyl butyrate 282.57

    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