Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-

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  • Identifiers

    CAS number
    110458-85-0

    Molecular formula
    C13H20O

    SMILES
    CC1=C(C2(CC1CC2CO)C(=C)C)C

  • Odor profile

    Fragrance
    Woody 77.61%
    Sandalwood 39.31%
    Amber 38.35%
    Dry 37.24%
    Citrus 34.22%
    Fresh 33.74%
    Spicy 33.19%
    Herbal 31.45%
    Balsamic 31.26%
    Vetiver 30.95%

     

    Flavor
    Woody 54.62%
    Herbal 44.4%
    Fresh 33.9%
    Wood 32.42%
    Balsam 31.31%
    Sweet 30.02%
    Herb 29.73%
    Minty 28.88%
    Spicy 27.99%
    Spice 26.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.89 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 110.24 ˚C est.

  • Synonyms

    • 110458-85-0
    • Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
    • DTXSID00888840
    • 5,6-Dimethyl-(1-methylethenyl)bicyclo(2.2.1)hept-5-ene-2-methanol
    • (5,6-dimethyl-1-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)methanol
    • Bicyclo(2.2.1)hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
    • SCHEMBL296777
    • MLDAJXVVSUEALX-UHFFFAOYSA-N
    • DTXCID401028112
    • Bicyclo2.2.1hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-

  • Applications

    For Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)- (CAS 110458-85-0), this compound is viewed as a useful intermediate for organic synthesis and a platform for monomer or polyol precursors in polymer chemistry; the hydroxyl group enables esterification or etherification to furnish functionalized derivatives; the norbornene framework provides rigidity and the exocyclic isopropenyl can participate in radical polymerization or crosslinking, making it suitable as a monomer or comonomer for norbornene-based polymers, coatings, and formulated resins; in electronics, certain norbornene-derived materials are used as specialty polymers or resists; in pharmaceuticals, it can serve as a chiral building block for the synthesis of complex molecules. Thus, subject to local regulations and formulation limits, potential applications span polymers/plastics, coatings/inks, adhesives, electronics, and pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 698.75
    methanol 828.68
    isopropanol 742.0
    water 9.31
    ethyl acetate 604.49
    n-propanol 628.89
    acetone 932.01
    n-butanol 580.55
    acetonitrile 947.41
    DMF 1048.46
    toluene 508.77
    isobutanol 416.23
    1,4-dioxane 1622.36
    methyl acetate 573.21
    THF 2826.77
    2-butanone 589.62
    n-pentanol 208.57
    sec-butanol 328.21
    n-hexane 19.94
    ethylene glycol 191.5
    NMP 420.46
    cyclohexane 67.82
    DMSO 596.56
    n-butyl acetate 414.08
    n-octanol 157.96
    chloroform 1490.5
    n-propyl acetate 258.56
    acetic acid 334.09
    dichloromethane 1385.69
    cyclohexanone 799.34
    propylene glycol 184.65
    isopropyl acetate 411.1
    DMAc 351.74
    2-ethoxyethanol 372.66
    isopentanol 394.18
    n-heptane 35.02
    ethyl formate 525.84
    1,2-dichloroethane 852.0
    n-hexanol 409.81
    2-methoxyethanol 978.11
    isobutyl acetate 184.76
    tetrachloromethane 354.0
    n-pentyl acetate 263.26
    transcutol 591.9
    n-heptanol 210.38
    ethylbenzene 173.28
    MIBK 372.42
    2-propoxyethanol 726.82
    tert-butanol 735.96
    MTBE 512.38
    2-butoxyethanol 379.41
    propionic acid 299.67
    o-xylene 238.78
    formic acid 176.05
    diethyl ether 621.61
    m-xylene 353.3
    p-xylene 226.26
    chlorobenzene 500.15
    dimethyl carbonate 270.88
    n-octane 18.18
    formamide 336.11
    cyclopentanone 1291.97
    2-pentanone 542.52
    anisole 378.84
    cyclopentyl methyl ether 672.08
    gamma-butyrolactone 1350.06
    1-methoxy-2-propanol 765.07
    pyridine 932.05
    3-pentanone 350.99
    furfural 828.88
    n-dodecane 13.69
    diethylene glycol 499.43
    diisopropyl ether 176.02
    tert-amyl alcohol 303.58
    acetylacetone 615.14
    n-hexadecane 16.18
    acetophenone 266.34
    methyl propionate 456.82
    isopentyl acetate 357.36
    trichloroethylene 1229.27
    n-nonanol 139.49
    cyclohexanol 368.21
    benzyl alcohol 275.71
    2-ethylhexanol 186.08
    isooctanol 159.38
    dipropyl ether 259.9
    1,2-dichlorobenzene 388.06
    ethyl lactate 135.57
    propylene carbonate 524.87
    n-methylformamide 743.29
    2-pentanol 311.43
    n-pentane 40.58
    1-propoxy-2-propanol 441.72
    1-methoxy-2-propyl acetate 428.63
    2-(2-methoxypropoxy) propanol 202.94
    mesitylene 210.42
    ε-caprolactone 584.86
    p-cymene 136.76
    epichlorohydrin 1471.83
    1,1,1-trichloroethane 805.9
    2-aminoethanol 323.51
    morpholine-4-carbaldehyde 716.22
    sulfolane 746.16
    2,2,4-trimethylpentane 23.07
    2-methyltetrahydrofuran 1062.68
    n-hexyl acetate 287.59
    isooctane 29.79
    2-(2-butoxyethoxy)ethanol 301.98
    sec-butyl acetate 177.55
    tert-butyl acetate 391.25
    decalin 27.69
    glycerin 269.95
    diglyme 645.61
    acrylic acid 254.93
    isopropyl myristate 113.61
    n-butyric acid 508.39
    acetyl acetate 356.43
    di(2-ethylhexyl) phthalate 108.24
    ethyl propionate 243.11
    nitromethane 844.07
    1,2-diethoxyethane 330.32
    benzonitrile 469.46
    trioctyl phosphate 89.66
    1-bromopropane 494.85
    gamma-valerolactone 1254.58
    n-decanol 99.85
    triethyl phosphate 110.73
    4-methyl-2-pentanol 201.16
    propionitrile 795.13
    vinylene carbonate 582.28
    1,1,2-trichlorotrifluoroethane 460.37
    DMS 250.86
    cumene 125.57
    2-octanol 132.01
    2-hexanone 236.42
    octyl acetate 137.71
    limonene 158.59
    1,2-dimethoxyethane 663.21
    ethyl orthosilicate 106.74
    tributyl phosphate 95.54
    diacetone alcohol 387.33
    N,N-dimethylaniline 208.05
    acrylonitrile 856.88
    aniline 456.36
    1,3-propanediol 584.56
    bromobenzene 509.64
    dibromomethane 850.38
    1,1,2,2-tetrachloroethane 768.68
    2-methyl-cyclohexyl acetate 174.05
    tetrabutyl urea 117.73
    diisobutyl methanol 137.49
    2-phenylethanol 367.44
    styrene 199.99
    dioctyl adipate 127.97
    dimethyl sulfate 298.23
    ethyl butyrate 244.97
    methyl lactate 221.4
    butyl lactate 174.28
    diethyl carbonate 164.65
    propanediol butyl ether 227.69
    triethyl orthoformate 164.57
    p-tert-butyltoluene 144.82
    methyl 4-tert-butylbenzoate 262.94
    morpholine 1422.55
    tert-butylamine 423.51
    n-dodecanol 74.93
    dimethoxymethane 1055.59
    ethylene carbonate 522.42
    cyrene 194.96
    2-ethoxyethyl acetate 353.64
    2-ethylhexyl acetate 250.25
    1,2,4-trichlorobenzene 383.51
    4-methylpyridine 779.69
    dibutyl ether 158.1
    2,6-dimethyl-4-heptanol 137.49
    DEF 380.86
    dimethyl isosorbide 391.38
    tetrachloroethylene 569.66
    eugenol 241.71
    triacetin 199.04
    span 80 177.87
    1,4-butanediol 154.01
    1,1-dichloroethane 907.19
    2-methyl-1-pentanol 161.53
    methyl formate 683.26
    2-methyl-1-butanol 297.17
    n-decane 25.87
    butyronitrile 771.43
    3,7-dimethyl-1-octanol 147.06
    1-chlorooctane 107.15
    1-chlorotetradecane 39.81
    n-nonane 23.59
    undecane 18.11
    tert-butylcyclohexane 31.57
    cyclooctane 25.8
    cyclopentanol 500.95
    tetrahydropyran 1204.21
    tert-amyl methyl ether 244.36
    2,5,8-trioxanonane 354.63
    1-hexene 84.4
    2-isopropoxyethanol 242.03
    2,2,2-trifluoroethanol 213.78
    methyl butyrate 289.18

    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