Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester

  • Identifiers

    Molecular formula
    C11H18O2

    SMILES
    CC1(CC2CC(C1C2)C(=O)OC)C

  • Odor profile

    Fragrance
    Fruity 80.4%
    Woody 72.88%
    Green 54.07%
    Herbal 51.39%
    Balsamic 44.17%
    Pine 40.02%
    Floral 37.36%
    Fresh 36.31%
    Cedar 36.18%
    Amber 35.05%

     

    Flavor
    Woody 43.11%
    Herbal 40.77%
    Bitter 39.06%
    Fruity 36.81%
    Sweet 34.66%
    Pine 33.82%
    Fruit 33.34%
    Camphor 32.62%
    Balsam 32.21%
    Spicy 23.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.87 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 93.38 ˚C est.

  • Synonyms

    • EINECS 258-005-0
    • Methyl 2,2-dimethylbicyclo(2.2.1)heptane-3-carboxylate
    • 2-Norbornanecarboxylic acid, 3,3-dimethyl-, methyl ester
    • 2,2-Dimethylbicyclo(2.2.1)heptane-3-carboxylic acid, methyl ester
    • Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
    • Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
    • SCHEMBL3506881
    • Bicyclo2.2.1heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
  • Applications

    Used primarily as a synthetic intermediate and building block in organic synthesis, the methyl ester of Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, provides a rigid norbornane framework useful for constructing diverse pharmaceutical and agrochemical candidates and can serve as a chiral scaffold for asymmetric synthesis. It also functions as a precursor for specialty polymers and advanced materials, including reactive monomers or crosslinking components in coatings and inks. In fragrance and cosmetics research, such bicyclic esters have been explored as fixed or aroma-contributing components, depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 485.32
    methanol 532.73
    isopropanol 563.94
    water 8.37
    ethyl acetate 316.52
    n-propanol 441.31
    acetone 329.68
    n-butanol 404.98
    acetonitrile 362.43
    DMF 453.75
    toluene 344.74
    isobutanol 330.64
    1,4-dioxane 781.48
    methyl acetate 319.74
    THF 746.65
    2-butanone 346.21
    n-pentanol 211.64
    sec-butanol 367.28
    n-hexane 11.52
    ethylene glycol 152.48
    NMP 241.48
    cyclohexane 40.24
    DMSO 204.03
    n-butyl acetate 245.83
    n-octanol 151.21
    chloroform 1191.29
    n-propyl acetate 169.7
    acetic acid 279.2
    dichloromethane 702.82
    cyclohexanone 396.84
    propylene glycol 214.0
    isopropyl acetate 237.04
    DMAc 300.47
    2-ethoxyethanol 321.23
    isopentanol 337.91
    n-heptane 14.42
    ethyl formate 292.89
    1,2-dichloroethane 336.73
    n-hexanol 318.47
    2-methoxyethanol 628.46
    isobutyl acetate 142.44
    tetrachloromethane 182.03
    n-pentyl acetate 149.37
    transcutol 543.53
    n-heptanol 162.37
    ethylbenzene 156.57
    MIBK 201.39
    2-propoxyethanol 482.66
    tert-butanol 496.16
    MTBE 282.27
    2-butoxyethanol 269.54
    propionic acid 233.18
    o-xylene 192.85
    formic acid 162.17
    diethyl ether 215.97
    m-xylene 238.37
    p-xylene 229.0
    chlorobenzene 336.29
    dimethyl carbonate 130.04
    n-octane 10.26
    formamide 216.85
    cyclopentanone 417.77
    2-pentanone 260.72
    anisole 272.35
    cyclopentyl methyl ether 240.92
    gamma-butyrolactone 462.65
    1-methoxy-2-propanol 527.12
    pyridine 546.25
    3-pentanone 171.54
    furfural 506.45
    n-dodecane 12.46
    diethylene glycol 409.42
    diisopropyl ether 84.44
    tert-amyl alcohol 297.99
    acetylacetone 295.05
    n-hexadecane 14.43
    acetophenone 226.85
    methyl propionate 229.62
    isopentyl acetate 244.89
    trichloroethylene 698.04
    n-nonanol 131.75
    cyclohexanol 294.41
    benzyl alcohol 259.13
    2-ethylhexanol 156.72
    isooctanol 132.7
    dipropyl ether 103.79
    1,2-dichlorobenzene 287.35
    ethyl lactate 129.81
    propylene carbonate 341.31
    n-methylformamide 313.58
    2-pentanol 252.65
    n-pentane 21.01
    1-propoxy-2-propanol 324.55
    1-methoxy-2-propyl acetate 272.17
    2-(2-methoxypropoxy) propanol 219.29
    mesitylene 141.51
    ε-caprolactone 354.2
    p-cymene 104.54
    epichlorohydrin 554.09
    1,1,1-trichloroethane 454.97
    2-aminoethanol 285.01
    morpholine-4-carbaldehyde 436.97
    sulfolane 284.08
    2,2,4-trimethylpentane 17.54
    2-methyltetrahydrofuran 424.6
    n-hexyl acetate 207.25
    isooctane 19.55
    2-(2-butoxyethoxy)ethanol 294.66
    sec-butyl acetate 148.91
    tert-butyl acetate 218.62
    decalin 26.09
    glycerin 264.74
    diglyme 482.6
    acrylic acid 203.3
    isopropyl myristate 91.32
    n-butyric acid 378.56
    acetyl acetate 233.56
    di(2-ethylhexyl) phthalate 106.53
    ethyl propionate 160.94
    nitromethane 403.25
    1,2-diethoxyethane 208.61
    benzonitrile 362.46
    trioctyl phosphate 77.58
    1-bromopropane 240.05
    gamma-valerolactone 617.88
    n-decanol 102.2
    triethyl phosphate 86.22
    4-methyl-2-pentanol 181.94
    propionitrile 349.14
    vinylene carbonate 365.55
    1,1,2-trichlorotrifluoroethane 386.18
    DMS 171.21
    cumene 112.22
    2-octanol 115.82
    2-hexanone 165.71
    octyl acetate 116.92
    limonene 111.81
    1,2-dimethoxyethane 431.35
    ethyl orthosilicate 84.63
    tributyl phosphate 82.52
    diacetone alcohol 265.43
    N,N-dimethylaniline 166.42
    acrylonitrile 411.47
    aniline 346.67
    1,3-propanediol 453.08
    bromobenzene 342.44
    dibromomethane 475.22
    1,1,2,2-tetrachloroethane 580.13
    2-methyl-cyclohexyl acetate 150.76
    tetrabutyl urea 97.52
    diisobutyl methanol 105.02
    2-phenylethanol 312.99
    styrene 172.75
    dioctyl adipate 111.89
    dimethyl sulfate 140.4
    ethyl butyrate 162.66
    methyl lactate 174.22
    butyl lactate 145.65
    diethyl carbonate 126.3
    propanediol butyl ether 254.18
    triethyl orthoformate 123.38
    p-tert-butyltoluene 107.97
    methyl 4-tert-butylbenzoate 199.92
    morpholine 745.69
    tert-butylamine 303.86
    n-dodecanol 79.47
    dimethoxymethane 351.51
    ethylene carbonate 308.52
    cyrene 188.59
    2-ethoxyethyl acetate 211.33
    2-ethylhexyl acetate 177.16
    1,2,4-trichlorobenzene 319.17
    4-methylpyridine 538.37
    dibutyl ether 95.42
    2,6-dimethyl-4-heptanol 105.02
    DEF 216.39
    dimethyl isosorbide 299.96
    tetrachloroethylene 360.06
    eugenol 213.28
    triacetin 179.78
    span 80 198.06
    1,4-butanediol 160.12
    1,1-dichloroethane 507.36
    2-methyl-1-pentanol 192.73
    methyl formate 256.35
    2-methyl-1-butanol 270.61
    n-decane 18.75
    butyronitrile 361.16
    3,7-dimethyl-1-octanol 155.32
    1-chlorooctane 79.52
    1-chlorotetradecane 36.68
    n-nonane 15.74
    undecane 14.94
    tert-butylcyclohexane 26.2
    cyclooctane 15.07
    cyclopentanol 299.71
    tetrahydropyran 511.1
    tert-amyl methyl ether 165.65
    2,5,8-trioxanonane 316.11
    1-hexene 59.79
    2-isopropoxyethanol 233.65
    2,2,2-trifluoroethanol 159.45
    methyl butyrate 199.66

    Scent© AI

1 of 4
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