Bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate

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  • Identifiers

    CAS number
    840-90-4

    Molecular formula
    C14H18O3S

    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CCC2C3

  • Odor profile

    Fragrance
    Odorless 50.14%
    Green 31.06%
    Fruity 23.84%
    Fresh 21.19%
    Cooked 18.64%
    Bitter 18.57%
    Roasted 16.28%
    Balsamic 16.23%
    Clean 15.07%
    Savory 14.82%

     

    Flavor
    Bitter 81.02%
    Nitrile 20.67%
    Cedarleaf 19.61%
    Lovage 19.52%
    Very strong 18.93%
    Indole 18.84%
    Alkaline 18.45%
    Moth ball 18.45%
    Broom 18.41%
    Heather 18.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.61 (neutral)

    Molecular weight
    266.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 177.05 ˚C est.

  • Synonyms

    • 840-90-4
    • bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate
    • 2-norbornyl tosylate
    • NSC150807
    • SCHEMBL12311428
    • DTXSID80302397
    • NSC-150807
    • EN300-7219900
    • bicyclo[2.2.1]heptan-2-yl 4-methylbenzene-1-sulfonate

  • Applications

    Bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate (CAS 840-90-4) is an organic synthesis intermediate commonly used to install the norbornyl moiety into target molecules; it functions as an electrophile and a tosylated leaving group enabling SN1/SN2-type substitutions to form C–O, C–N, or C–S bonds and generate complex products. In pharmaceutical and fine chemical manufacturing, it serves as a building block for norbornyl-containing intermediates in product development. In polymer and materials science, it can be used as a precursor for norbornyl-containing monomers or functionalized oligomers for specialty polymers and coatings. In research and development, it supports studies of norbornyl reaction mechanisms and the development of new coupling strategies, leveraging its ability to deliver the bicyclic framework into diverse scaffolds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.98
    methanol 233.86
    isopropanol 189.37
    water 0.33
    ethyl acetate 475.57
    n-propanol 227.86
    acetone 610.98
    n-butanol 225.39
    acetonitrile 500.02
    DMF 848.84
    toluene 229.62
    isobutanol 147.92
    1,4-dioxane 613.46
    methyl acetate 517.65
    THF 783.35
    2-butanone 688.13
    n-pentanol 133.12
    sec-butanol 202.0
    n-hexane 2.73
    ethylene glycol 41.11
    NMP 421.21
    cyclohexane 15.96
    DMSO 265.83
    n-butyl acetate 280.66
    n-octanol 94.91
    chloroform 982.23
    n-propyl acetate 282.7
    acetic acid 209.51
    dichloromethane 693.49
    cyclohexanone 717.17
    propylene glycol 86.15
    isopropyl acetate 315.14
    DMAc 673.06
    2-ethoxyethanol 283.43
    isopentanol 188.59
    n-heptane 4.53
    ethyl formate 275.92
    1,2-dichloroethane 522.29
    n-hexanol 155.86
    2-methoxyethanol 519.75
    isobutyl acetate 170.65
    tetrachloromethane 32.39
    n-pentyl acetate 171.8
    transcutol 992.69
    n-heptanol 86.64
    ethylbenzene 95.47
    MIBK 269.56
    2-propoxyethanol 382.35
    tert-butanol 171.91
    MTBE 188.75
    2-butoxyethanol 214.69
    propionic acid 195.28
    o-xylene 104.72
    formic acid 80.81
    diethyl ether 234.87
    m-xylene 121.25
    p-xylene 127.39
    chlorobenzene 340.73
    dimethyl carbonate 178.75
    n-octane 3.86
    formamide 265.77
    cyclopentanone 714.4
    2-pentanone 462.56
    anisole 265.67
    cyclopentyl methyl ether 246.33
    gamma-butyrolactone 591.9
    1-methoxy-2-propanol 441.38
    pyridine 699.5
    3-pentanone 321.98
    furfural 544.84
    n-dodecane 5.71
    diethylene glycol 276.46
    diisopropyl ether 62.6
    tert-amyl alcohol 167.26
    acetylacetone 534.66
    n-hexadecane 6.7
    acetophenone 288.66
    methyl propionate 358.21
    isopentyl acetate 248.0
    trichloroethylene 1134.29
    n-nonanol 88.8
    cyclohexanol 189.78
    benzyl alcohol 228.92
    2-ethylhexanol 88.4
    isooctanol 74.44
    dipropyl ether 78.14
    1,2-dichlorobenzene 276.34
    ethyl lactate 148.48
    propylene carbonate 367.27
    n-methylformamide 385.66
    2-pentanol 147.37
    n-pentane 4.65
    1-propoxy-2-propanol 266.06
    1-methoxy-2-propyl acetate 332.93
    2-(2-methoxypropoxy) propanol 228.36
    mesitylene 63.38
    ε-caprolactone 505.44
    p-cymene 52.62
    epichlorohydrin 842.29
    1,1,1-trichloroethane 338.91
    2-aminoethanol 118.39
    morpholine-4-carbaldehyde 591.88
    sulfolane 393.1
    2,2,4-trimethylpentane 5.85
    2-methyltetrahydrofuran 473.1
    n-hexyl acetate 235.04
    isooctane 5.01
    2-(2-butoxyethoxy)ethanol 350.17
    sec-butyl acetate 209.62
    tert-butyl acetate 277.87
    decalin 10.05
    glycerin 116.97
    diglyme 583.66
    acrylic acid 186.8
    isopropyl myristate 92.62
    n-butyric acid 301.93
    acetyl acetate 283.71
    di(2-ethylhexyl) phthalate 89.46
    ethyl propionate 238.18
    nitromethane 656.29
    1,2-diethoxyethane 294.23
    benzonitrile 356.09
    trioctyl phosphate 64.7
    1-bromopropane 215.42
    gamma-valerolactone 923.19
    n-decanol 69.55
    triethyl phosphate 79.75
    4-methyl-2-pentanol 97.42
    propionitrile 372.92
    vinylene carbonate 394.69
    1,1,2-trichlorotrifluoroethane 383.79
    DMS 242.38
    cumene 57.7
    2-octanol 73.0
    2-hexanone 284.11
    octyl acetate 117.62
    limonene 65.45
    1,2-dimethoxyethane 497.78
    ethyl orthosilicate 70.85
    tributyl phosphate 81.14
    diacetone alcohol 315.98
    N,N-dimethylaniline 129.53
    acrylonitrile 524.96
    aniline 261.95
    1,3-propanediol 206.24
    bromobenzene 321.68
    dibromomethane 396.36
    1,1,2,2-tetrachloroethane 819.77
    2-methyl-cyclohexyl acetate 144.31
    tetrabutyl urea 109.19
    diisobutyl methanol 58.2
    2-phenylethanol 229.71
    styrene 130.33
    dioctyl adipate 121.96
    dimethyl sulfate 181.62
    ethyl butyrate 178.45
    methyl lactate 210.34
    butyl lactate 162.87
    diethyl carbonate 121.64
    propanediol butyl ether 233.26
    triethyl orthoformate 109.43
    p-tert-butyltoluene 50.81
    methyl 4-tert-butylbenzoate 174.28
    morpholine 736.91
    tert-butylamine 85.53
    n-dodecanol 54.54
    dimethoxymethane 445.8
    ethylene carbonate 317.43
    cyrene 207.59
    2-ethoxyethyl acetate 296.29
    2-ethylhexyl acetate 191.77
    1,2,4-trichlorobenzene 312.92
    4-methylpyridine 659.92
    dibutyl ether 99.16
    2,6-dimethyl-4-heptanol 58.2
    DEF 418.17
    dimethyl isosorbide 336.32
    tetrachloroethylene 357.27
    eugenol 202.14
    triacetin 232.52
    span 80 179.43
    1,4-butanediol 74.96
    1,1-dichloroethane 506.77
    2-methyl-1-pentanol 135.21
    methyl formate 278.18
    2-methyl-1-butanol 166.27
    n-decane 7.85
    butyronitrile 351.05
    3,7-dimethyl-1-octanol 109.75
    1-chlorooctane 51.35
    1-chlorotetradecane 23.34
    n-nonane 6.31
    undecane 6.53
    tert-butylcyclohexane 7.89
    cyclooctane 5.22
    cyclopentanol 192.21
    tetrahydropyran 523.24
    tert-amyl methyl ether 150.93
    2,5,8-trioxanonane 378.46
    1-hexene 29.89
    2-isopropoxyethanol 199.01
    2,2,2-trifluoroethanol 95.89
    methyl butyrate 317.44

    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