Bicyclo[2.2.1]hepta-2,5-dien-7-ol

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  • Identifiers

    CAS number
    822-80-0

    Molecular formula
    C7H8O

    SMILES
    C1=CC2C=CC1C2O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 38.2%
    Woody 29.79%
    Nutty 24.18%
    Green 22.38%
    Roasted 21.27%
    Odorless 21.16%
    Burnt 21.11%
    Herbal 21.04%
    Earthy 19.06%
    Fruity 18.9%

     

    Flavor
    Bitter 65.78%
    Alkaline 20.28%
    Shrimp 19.72%
    Cedarleaf 18.99%
    Nitrile 18.63%
    Sweet-like 18.3%
    Lovage 18.19%
    Cereal 18.08%
    Terpentine 17.92%
    Oriental 17.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.93 (neutral)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point

    • 61.84 ˚C est.

  • Synonyms

    • Bicyclo[2.2.1]hepta-2,5-dien-7-ol
    • 7-Hydroxynorbornadiene
    • 822-80-0
    • 2,5-Norbornadien-7-ol
    • DTXSID70883246
    • BICYCLO(2.2.1)HEPTA-2,5-DIEN-7-OL
    • RefChem:119678
    • DTXCID101022791
    • YKRVEGFRYRZTEY-UHFFFAOYSA-N
    • SCHEMBL10935615
    • bicyclo[2,2,1]hepta-2,5-dien-7-ol
    • 822-80-0

  • Applications

    Bicyclo[2.2.1]hepta-2,5-dien-7-ol (CAS 822-80-0) is mainly used as an organic synthesis intermediate and building block for subsequent transformations. In practice, it is frequently evaluated for fragrance applications as an odor-active intermediate or fixative in the fragrance industry due to its bicyclic framework. It may serve as a precursor for norbornene-based monomers or polymers, or as a crosslinking component for plastics and coatings after suitable derivatization. Its rigid bicyclic scaffold also makes it a potential intermediate in pharmaceutical synthesis for developing complex compounds. It may also find use in coatings and inks as a reactive monomer or crosslinking agent, and could be explored for cosmetic and personal care formulations under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 165.49
    methanol 230.44
    isopropanol 99.82
    water 24.9
    ethyl acetate 101.2
    n-propanol 117.71
    acetone 78.17
    n-butanol 115.58
    acetonitrile 122.53
    DMF 122.36
    toluene 19.26
    isobutanol 75.64
    1,4-dioxane 115.7
    methyl acetate 107.27
    THF 136.38
    2-butanone 76.53
    n-pentanol 79.67
    sec-butanol 82.65
    n-hexane 6.01
    ethylene glycol 77.81
    NMP 66.53
    cyclohexane 4.76
    DMSO 99.48
    n-butyl acetate 49.9
    n-octanol 42.34
    chloroform 173.43
    n-propyl acetate 58.88
    acetic acid 184.8
    dichloromethane 111.11
    cyclohexanone 56.78
    propylene glycol 80.47
    isopropyl acetate 62.9
    DMAc 129.59
    2-ethoxyethanol 147.76
    isopentanol 95.94
    n-heptane 7.07
    ethyl formate 72.6
    1,2-dichloroethane 55.2
    n-hexanol 68.14
    2-methoxyethanol 207.07
    isobutyl acetate 41.21
    tetrachloromethane 37.68
    n-pentyl acetate 43.44
    transcutol 428.69
    n-heptanol 52.86
    ethylbenzene 16.22
    MIBK 57.65
    2-propoxyethanol 127.13
    tert-butanol 96.42
    MTBE 64.04
    2-butoxyethanol 112.15
    propionic acid 116.83
    o-xylene 20.03
    formic acid 144.23
    diethyl ether 71.37
    m-xylene 21.25
    p-xylene 22.97
    chlorobenzene 30.12
    dimethyl carbonate 46.26
    n-octane 4.08
    formamide 215.71
    cyclopentanone 85.98
    2-pentanone 64.73
    anisole 53.61
    cyclopentyl methyl ether 54.32
    gamma-butyrolactone 114.29
    1-methoxy-2-propanol 154.65
    pyridine 80.97
    3-pentanone 46.93
    furfural 110.1
    n-dodecane 3.61
    diethylene glycol 125.68
    diisopropyl ether 25.29
    tert-amyl alcohol 74.88
    acetylacetone 74.95
    n-hexadecane 3.74
    acetophenone 52.01
    methyl propionate 76.58
    isopentyl acetate 45.8
    trichloroethylene 131.69
    n-nonanol 38.75
    cyclohexanol 44.79
    benzyl alcohol 52.94
    2-ethylhexanol 40.49
    isooctanol 43.34
    dipropyl ether 40.86
    1,2-dichlorobenzene 34.34
    ethyl lactate 48.76
    propylene carbonate 77.16
    n-methylformamide 124.88
    2-pentanol 73.81
    n-pentane 7.46
    1-propoxy-2-propanol 89.15
    1-methoxy-2-propyl acetate 69.72
    2-(2-methoxypropoxy) propanol 89.18
    mesitylene 16.23
    ε-caprolactone 69.76
    p-cymene 17.13
    epichlorohydrin 112.38
    1,1,1-trichloroethane 62.12
    2-aminoethanol 133.43
    morpholine-4-carbaldehyde 109.74
    sulfolane 88.2
    2,2,4-trimethylpentane 6.66
    2-methyltetrahydrofuran 78.09
    n-hexyl acetate 51.42
    isooctane 6.6
    2-(2-butoxyethoxy)ethanol 129.83
    sec-butyl acetate 44.98
    tert-butyl acetate 63.74
    decalin 5.37
    glycerin 117.36
    diglyme 223.15
    acrylic acid 110.17
    isopropyl myristate 22.83
    n-butyric acid 131.55
    acetyl acetate 67.1
    di(2-ethylhexyl) phthalate 27.74
    ethyl propionate 53.1
    nitromethane 226.52
    1,2-diethoxyethane 85.94
    benzonitrile 47.72
    trioctyl phosphate 19.85
    1-bromopropane 31.61
    gamma-valerolactone 111.71
    n-decanol 29.2
    triethyl phosphate 26.49
    4-methyl-2-pentanol 57.86
    propionitrile 88.31
    vinylene carbonate 77.64
    1,1,2-trichlorotrifluoroethane 132.47
    DMS 43.63
    cumene 17.54
    2-octanol 31.72
    2-hexanone 48.19
    octyl acetate 28.89
    limonene 19.77
    1,2-dimethoxyethane 138.79
    ethyl orthosilicate 28.05
    tributyl phosphate 22.51
    diacetone alcohol 88.31
    N,N-dimethylaniline 41.16
    acrylonitrile 105.81
    aniline 53.28
    1,3-propanediol 142.62
    bromobenzene 23.29
    dibromomethane 67.87
    1,1,2,2-tetrachloroethane 99.66
    2-methyl-cyclohexyl acetate 37.86
    tetrabutyl urea 26.9
    diisobutyl methanol 31.01
    2-phenylethanol 53.46
    styrene 17.81
    dioctyl adipate 33.93
    dimethyl sulfate 56.31
    ethyl butyrate 48.42
    methyl lactate 65.1
    butyl lactate 47.63
    diethyl carbonate 36.51
    propanediol butyl ether 94.52
    triethyl orthoformate 39.64
    p-tert-butyltoluene 16.57
    methyl 4-tert-butylbenzoate 57.19
    morpholine 123.37
    tert-butylamine 60.29
    n-dodecanol 22.1
    dimethoxymethane 99.52
    ethylene carbonate 62.62
    cyrene 65.38
    2-ethoxyethyl acetate 70.95
    2-ethylhexyl acetate 33.82
    1,2,4-trichlorobenzene 41.07
    4-methylpyridine 58.51
    dibutyl ether 36.84
    2,6-dimethyl-4-heptanol 31.01
    DEF 70.02
    dimethyl isosorbide 107.18
    tetrachloroethylene 82.23
    eugenol 67.55
    triacetin 65.6
    span 80 68.23
    1,4-butanediol 68.92
    1,1-dichloroethane 60.14
    2-methyl-1-pentanol 66.64
    methyl formate 80.03
    2-methyl-1-butanol 84.75
    n-decane 5.52
    butyronitrile 77.28
    3,7-dimethyl-1-octanol 44.25
    1-chlorooctane 17.95
    1-chlorotetradecane 8.11
    n-nonane 4.95
    undecane 4.29
    tert-butylcyclohexane 6.94
    cyclooctane 3.03
    cyclopentanol 51.1
    tetrahydropyran 65.17
    tert-amyl methyl ether 50.75
    2,5,8-trioxanonane 142.72
    1-hexene 19.89
    2-isopropoxyethanol 102.59
    2,2,2-trifluoroethanol 117.89
    methyl butyrate 62.34

    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