1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol

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  • Identifiers

    CAS number
    77942-95-1

    Molecular formula
    C11H20O

    SMILES
    CC1(C2CCC(C2)(C1(C)O)C)C

  • Odor profile

    Fragrance
    Earthy 64.14%
    Camphoreous 57.03%
    Woody 56.73%
    Green 55.49%
    Musty 44.24%
    Mint 38.45%
    Pine 37.46%
    Herbal 36.51%
    Cooling 32.95%
    Terpenic 29.37%

     

    Flavor
    Woody 70.94%
    Camphor 68.59%
    Herbal 58.19%
    Pine 55.03%
    Sweet 54.13%
    Earthy 47.05%
    Balsam 41.71%
    Earth 37.25%
    Dry 37.18%
    Medical 32.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.99 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 66.15 ˚C est.

  • Synonyms

    • 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol
    • 77942-95-1
    • SCHEMBL9752099
    • DTXSID90860418
    • AJVKAPQCJKEUSG-UHFFFAOYSA-N
    • 28462-85-3
    • NS00013225
    • EN300-247580

  • Applications

    1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol (CAS 77942-95-1) is primarily used as a synthetic intermediate and chiral building block in chemical manufacturing. In pharmaceutical and agrochemical development, it is used to construct more complex molecules via functionalization of the tertiary alcohol and the rigid norbornane core, enabling stereochemical control. In fragrance and cosmetics, the rigid bicyclic framework can serve as a scaffold for fragrance design or as an aroma-bearing intermediate in complex formulations. In polymer and materials science, it may act as a precursor to specialty monomers or crosslinking components that impart rigidity and thermal stability. It can also be explored as a chiral auxiliary for asymmetric synthesis in medicinal chemistry workflows. Usage is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.2
    methanol 1187.15
    isopropanol 714.08
    water 44.66
    ethyl acetate 747.36
    n-propanol 676.58
    acetone 806.45
    n-butanol 613.98
    acetonitrile 847.68
    DMF 1131.29
    toluene 463.95
    isobutanol 523.11
    1,4-dioxane 1456.84
    methyl acetate 699.83
    THF 1905.56
    2-butanone 578.88
    n-pentanol 366.48
    sec-butanol 493.9
    n-hexane 117.28
    ethylene glycol 271.2
    NMP 549.31
    cyclohexane 151.57
    DMSO 531.9
    n-butyl acetate 511.17
    n-octanol 269.04
    chloroform 1613.3
    n-propyl acetate 397.58
    acetic acid 551.21
    dichloromethane 1217.56
    cyclohexanone 626.26
    propylene glycol 285.46
    isopropyl acetate 667.12
    DMAc 665.62
    2-ethoxyethanol 600.45
    isopentanol 559.47
    n-heptane 109.3
    ethyl formate 508.81
    1,2-dichloroethane 715.98
    n-hexanol 569.56
    2-methoxyethanol 1074.29
    isobutyl acetate 328.18
    tetrachloromethane 565.04
    n-pentyl acetate 345.82
    transcutol 1275.66
    n-heptanol 357.15
    ethylbenzene 296.35
    MIBK 506.08
    2-propoxyethanol 987.18
    tert-butanol 836.73
    MTBE 836.18
    2-butoxyethanol 605.89
    propionic acid 458.47
    o-xylene 340.07
    formic acid 460.77
    diethyl ether 795.61
    m-xylene 434.24
    p-xylene 433.45
    chlorobenzene 523.96
    dimethyl carbonate 425.71
    n-octane 54.54
    formamide 789.77
    cyclopentanone 882.14
    2-pentanone 576.87
    anisole 605.89
    cyclopentyl methyl ether 705.87
    gamma-butyrolactone 995.66
    1-methoxy-2-propanol 887.38
    pyridine 743.11
    3-pentanone 441.53
    furfural 826.04
    n-dodecane 36.29
    diethylene glycol 710.9
    diisopropyl ether 410.46
    tert-amyl alcohol 562.97
    acetylacetone 759.42
    n-hexadecane 41.53
    acetophenone 441.98
    methyl propionate 572.04
    isopentyl acetate 510.46
    trichloroethylene 1169.32
    n-nonanol 262.18
    cyclohexanol 429.1
    benzyl alcohol 364.18
    2-ethylhexanol 320.35
    isooctanol 301.22
    dipropyl ether 460.37
    1,2-dichlorobenzene 517.67
    ethyl lactate 219.6
    propylene carbonate 603.04
    n-methylformamide 758.63
    2-pentanol 470.64
    n-pentane 142.17
    1-propoxy-2-propanol 656.62
    1-methoxy-2-propyl acetate 709.4
    2-(2-methoxypropoxy) propanol 439.18
    mesitylene 333.02
    ε-caprolactone 624.16
    p-cymene 237.61
    epichlorohydrin 1091.0
    1,1,1-trichloroethane 983.86
    2-aminoethanol 505.73
    morpholine-4-carbaldehyde 912.81
    sulfolane 735.19
    2,2,4-trimethylpentane 89.0
    2-methyltetrahydrofuran 947.55
    n-hexyl acetate 440.32
    isooctane 106.88
    2-(2-butoxyethoxy)ethanol 589.55
    sec-butyl acetate 357.05
    tert-butyl acetate 783.15
    decalin 109.26
    glycerin 388.65
    diglyme 1074.41
    acrylic acid 402.51
    isopropyl myristate 220.33
    n-butyric acid 583.09
    acetyl acetate 623.35
    di(2-ethylhexyl) phthalate 176.46
    ethyl propionate 402.86
    nitromethane 988.16
    1,2-diethoxyethane 635.27
    benzonitrile 474.69
    trioctyl phosphate 145.6
    1-bromopropane 479.27
    gamma-valerolactone 1121.45
    n-decanol 192.92
    triethyl phosphate 224.97
    4-methyl-2-pentanol 384.28
    propionitrile 669.91
    vinylene carbonate 606.92
    1,1,2-trichlorotrifluoroethane 674.82
    DMS 417.38
    cumene 248.46
    2-octanol 226.26
    2-hexanone 379.5
    octyl acetate 238.91
    limonene 256.56
    1,2-dimethoxyethane 1030.66
    ethyl orthosilicate 240.96
    tributyl phosphate 168.5
    diacetone alcohol 586.01
    N,N-dimethylaniline 447.46
    acrylonitrile 727.87
    aniline 540.09
    1,3-propanediol 653.02
    bromobenzene 543.09
    dibromomethane 801.16
    1,1,2,2-tetrachloroethane 942.26
    2-methyl-cyclohexyl acetate 335.41
    tetrabutyl urea 184.71
    diisobutyl methanol 267.43
    2-phenylethanol 511.17
    styrene 325.4
    dioctyl adipate 230.6
    dimethyl sulfate 442.29
    ethyl butyrate 420.51
    methyl lactate 337.01
    butyl lactate 263.34
    diethyl carbonate 317.64
    propanediol butyl ether 387.07
    triethyl orthoformate 340.26
    p-tert-butyltoluene 272.32
    methyl 4-tert-butylbenzoate 479.32
    morpholine 1253.29
    tert-butylamine 673.61
    n-dodecanol 143.65
    dimethoxymethane 1070.86
    ethylene carbonate 570.8
    cyrene 327.91
    2-ethoxyethyl acetate 489.4
    2-ethylhexyl acetate 383.58
    1,2,4-trichlorobenzene 536.25
    4-methylpyridine 747.12
    dibutyl ether 298.82
    2,6-dimethyl-4-heptanol 267.43
    DEF 538.93
    dimethyl isosorbide 727.43
    tetrachloroethylene 769.14
    eugenol 415.35
    triacetin 392.06
    span 80 354.79
    1,4-butanediol 240.42
    1,1-dichloroethane 863.34
    2-methyl-1-pentanol 322.78
    methyl formate 603.02
    2-methyl-1-butanol 452.48
    n-decane 66.51
    butyronitrile 613.26
    3,7-dimethyl-1-octanol 297.2
    1-chlorooctane 182.08
    1-chlorotetradecane 80.47
    n-nonane 61.57
    undecane 47.39
    tert-butylcyclohexane 119.46
    cyclooctane 81.58
    cyclopentanol 514.28
    tetrahydropyran 943.08
    tert-amyl methyl ether 512.15
    2,5,8-trioxanonane 677.91
    1-hexene 256.91
    2-isopropoxyethanol 432.98
    2,2,2-trifluoroethanol 440.9
    methyl butyrate 436.43

    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