Bicyclo(2.2.1)heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1R,2R,4S)-

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  • Identifiers

    CAS number
    137255-07-3

    Molecular formula
    C12H22O

    SMILES
    CC[C@]1([C@@]2(CC[C@@H](C2)C1(C)C)C)O

  • Odor profile

    Fragrance
    Earthy 67.47%
    Woody 66.51%
    Camphoreous 57.85%
    Green 45.23%
    Musty 41.54%
    Herbal 41.05%
    Pine 40.5%
    Mint 37.71%
    Cooling 34.04%
    Balsamic 32.38%

     

    Flavor
    Woody 67.4%
    Camphor 59.3%
    Sweet 52.26%
    Pine 49.55%
    Earthy 47.35%
    Herbal 46.17%
    Earth 38.32%
    Balsam 35.84%
    Bitter 35.09%
    Spicy 34.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.19 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    232°C

    Flash point

    • 83.94 ˚C est.

  • Synonyms

    • DTXSID50888633
    • Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1R,2R,4S)-
    • 137255-07-3
    • Bicyclo(2.2.1)heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1R,2R,4S)-
    • KIPCKEJKGCXRGA-WCQGTBRESA-N
    • DTXCID301027909
    • Bicyclo2.2.1heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1R,2R,4S)-
    • 639-059-8

  • Applications

    Bicyclo(2.2.1)heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1R,2R,4S)- is primarily used as a chiral building block and intermediate in organic synthesis. In fragrance chemistry it serves as a scaffold for aroma compounds with a rigid bicyclic framework. It is also evaluated as a precursor in the synthesis of pharmaceutical and agrochemical agents. Additionally, it can function as a specialty polymer/plastics building block or intermediate for coatings and inks, and may be considered for cosmetic/personal care ingredient development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1491.22
    methanol 2289.97
    isopropanol 1145.97
    water 49.43
    ethyl acetate 1130.68
    n-propanol 1190.79
    acetone 1462.65
    n-butanol 1013.73
    acetonitrile 1565.27
    DMF 2038.37
    toluene 832.09
    isobutanol 911.71
    1,4-dioxane 2496.2
    methyl acetate 1040.49
    THF 3702.38
    2-butanone 1013.92
    n-pentanol 600.17
    sec-butanol 749.27
    n-hexane 211.1
    ethylene glycol 426.98
    NMP 1149.78
    cyclohexane 298.32
    DMSO 1028.31
    n-butyl acetate 932.59
    n-octanol 497.31
    chloroform 2810.72
    n-propyl acetate 709.39
    acetic acid 854.13
    dichloromethane 2157.9
    cyclohexanone 1289.87
    propylene glycol 425.77
    isopropyl acetate 978.33
    DMAc 941.0
    2-ethoxyethanol 1018.75
    isopentanol 879.88
    n-heptane 183.58
    ethyl formate 843.42
    1,2-dichloroethane 1373.85
    n-hexanol 928.66
    2-methoxyethanol 1752.35
    isobutyl acetate 560.35
    tetrachloromethane 996.19
    n-pentyl acetate 637.55
    transcutol 1763.83
    n-heptanol 602.44
    ethylbenzene 481.73
    MIBK 845.53
    2-propoxyethanol 1581.16
    tert-butanol 1228.65
    MTBE 1239.55
    2-butoxyethanol 1021.23
    propionic acid 733.65
    o-xylene 556.42
    formic acid 643.89
    diethyl ether 1390.75
    m-xylene 726.25
    p-xylene 679.6
    chlorobenzene 931.58
    dimethyl carbonate 635.93
    n-octane 92.29
    formamide 992.71
    cyclopentanone 1798.6
    2-pentanone 996.63
    anisole 980.28
    cyclopentyl methyl ether 1388.46
    gamma-butyrolactone 1959.18
    1-methoxy-2-propanol 1401.97
    pyridine 1333.95
    3-pentanone 724.27
    furfural 1543.79
    n-dodecane 61.79
    diethylene glycol 1052.15
    diisopropyl ether 657.05
    tert-amyl alcohol 799.15
    acetylacetone 1191.62
    n-hexadecane 71.14
    acetophenone 694.15
    methyl propionate 869.51
    isopentyl acetate 858.38
    trichloroethylene 2166.32
    n-nonanol 447.12
    cyclohexanol 796.34
    benzyl alcohol 601.45
    2-ethylhexanol 515.5
    isooctanol 494.6
    dipropyl ether 787.33
    1,2-dichlorobenzene 895.85
    ethyl lactate 350.8
    propylene carbonate 1027.56
    n-methylformamide 1427.65
    2-pentanol 736.8
    n-pentane 261.21
    1-propoxy-2-propanol 1009.78
    1-methoxy-2-propyl acetate 1026.12
    2-(2-methoxypropoxy) propanol 587.49
    mesitylene 553.51
    ε-caprolactone 1156.04
    p-cymene 356.28
    epichlorohydrin 2085.34
    1,1,1-trichloroethane 1730.21
    2-aminoethanol 771.47
    morpholine-4-carbaldehyde 1599.16
    sulfolane 1540.44
    2,2,4-trimethylpentane 149.27
    2-methyltetrahydrofuran 1771.35
    n-hexyl acetate 800.93
    isooctane 175.49
    2-(2-butoxyethoxy)ethanol 839.7
    sec-butyl acetate 555.75
    tert-butyl acetate 1133.43
    decalin 173.57
    glycerin 583.72
    diglyme 1633.96
    acrylic acid 640.83
    isopropyl myristate 358.66
    n-butyric acid 977.82
    acetyl acetate 850.69
    di(2-ethylhexyl) phthalate 285.42
    ethyl propionate 654.9
    nitromethane 1654.29
    1,2-diethoxyethane 959.64
    benzonitrile 916.39
    trioctyl phosphate 239.87
    1-bromopropane 946.87
    gamma-valerolactone 2135.2
    n-decanol 306.38
    triethyl phosphate 321.1
    4-methyl-2-pentanol 580.05
    propionitrile 1340.81
    vinylene carbonate 1019.85
    1,1,2-trichlorotrifluoroethane 1083.56
    DMS 653.06
    cumene 389.21
    2-octanol 402.42
    2-hexanone 658.81
    octyl acetate 395.23
    limonene 431.81
    1,2-dimethoxyethane 1711.7
    ethyl orthosilicate 346.92
    tributyl phosphate 266.17
    diacetone alcohol 862.94
    N,N-dimethylaniline 650.82
    acrylonitrile 1464.93
    aniline 873.4
    1,3-propanediol 987.54
    bromobenzene 967.2
    dibromomethane 1479.62
    1,1,2,2-tetrachloroethane 1636.4
    2-methyl-cyclohexyl acetate 516.8
    tetrabutyl urea 299.94
    diisobutyl methanol 391.51
    2-phenylethanol 800.81
    styrene 564.52
    dioctyl adipate 371.24
    dimethyl sulfate 736.45
    ethyl butyrate 645.38
    methyl lactate 487.83
    butyl lactate 453.91
    diethyl carbonate 448.78
    propanediol butyl ether 617.51
    triethyl orthoformate 511.77
    p-tert-butyltoluene 397.56
    methyl 4-tert-butylbenzoate 753.96
    morpholine 2194.73
    tert-butylamine 990.43
    n-dodecanol 222.02
    dimethoxymethane 1866.27
    ethylene carbonate 960.93
    cyrene 516.51
    2-ethoxyethyl acetate 783.56
    2-ethylhexyl acetate 656.31
    1,2,4-trichlorobenzene 935.97
    4-methylpyridine 1329.11
    dibutyl ether 536.63
    2,6-dimethyl-4-heptanol 391.51
    DEF 847.4
    dimethyl isosorbide 1036.51
    tetrachloroethylene 1358.04
    eugenol 652.29
    triacetin 579.85
    span 80 519.0
    1,4-butanediol 383.61
    1,1-dichloroethane 1571.41
    2-methyl-1-pentanol 506.6
    methyl formate 1151.77
    2-methyl-1-butanol 743.34
    n-decane 116.51
    butyronitrile 1277.7
    3,7-dimethyl-1-octanol 465.53
    1-chlorooctane 337.79
    1-chlorotetradecane 136.52
    n-nonane 110.93
    undecane 81.15
    tert-butylcyclohexane 195.45
    cyclooctane 146.66
    cyclopentanol 999.07
    tetrahydropyran 1762.98
    tert-amyl methyl ether 742.43
    2,5,8-trioxanonane 932.7
    1-hexene 473.02
    2-isopropoxyethanol 723.5
    2,2,2-trifluoroethanol 587.14
    methyl butyrate 722.83

    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