2-Ethoxy-1,3,3-trimethylbicyclo(2.2.1)heptane

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  • Identifiers

    CAS number
    67800-86-6

    Molecular formula
    C12H22O

    SMILES
    CCOC1C(C2CCC1(C2)C)(C)C

  • Odor profile

    Fragrance
    Woody 78.8%
    Green 53.17%
    Herbal 52.2%
    Camphoreous 50.77%
    Pine 50.32%
    Earthy 47.63%
    Fresh 40.92%
    Amber 40.36%
    Dry 39.25%
    Spicy 39.17%

     

    Flavor
    Sweet 66.06%
    Woody 63.1%
    Herbal 53.11%
    Camphor 48.99%
    Pine 48.62%
    Earthy 46.88%
    Spicy 39.58%
    Green 39.44%
    Dry 34.7%
    Balsam 34.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.73 (neutral)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 65.72 ˚C est.

  • Synonyms

    • 67800-86-6
    • 2-Ethoxy-1,3,3-trimethylnorbornane
    • EINECS 267-111-6
    • Bicyclo(2.2.1)heptane, 2-ethoxy-1,3,3-trimethyl-
    • 2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
    • Bicyclo[2.2.1]heptane, 2-ethoxy-1,3,3-trimethyl-
    • DTXSID60867333
    • 2-Ethoxy-1,3,3-trimethylbicyclo(2.2.1)heptane
    • SCHEMBL5904875
    • DTXCID10815526
    • OGKAJQBGLDYVDV-UHFFFAOYSA-N
    • 2-ethoxy-1,3,3-trimethyl norbornane
    • NS00055276
    • 267-111-6

  • Applications

    2-Ethoxy-1,3,3-trimethylbicyclo(2.2.1)heptane (CAS 67800-86-6) is a rigid norbornane ether that appears in some specialty fragrance chemistry. In perfumery, it may function as an odorant or fixative component in niche formulations; in cosmetics/personal care, it can serve as a fragrance ingredient within restricted formulations. In industrial manufacturing and chemical synthesis, it is evaluated as a specialty intermediate for camphor- or norbornane-derived building blocks used in polymers and materials chemistry. It may also be used as a solvent-like additive in limited applications or as a precursor to other camphor-derived compounds. Use is typically restricted to pilot or specialty formulations and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1288.53
    methanol 1271.98
    isopropanol 1301.89
    water 30.96
    ethyl acetate 1625.13
    n-propanol 1353.64
    acetone 1699.44
    n-butanol 1336.51
    acetonitrile 1885.02
    DMF 1589.46
    toluene 1762.89
    isobutanol 1278.47
    1,4-dioxane 2450.24
    methyl acetate 1403.65
    THF 3170.14
    2-butanone 1437.86
    n-pentanol 896.02
    sec-butanol 1198.86
    n-hexane 446.84
    ethylene glycol 416.85
    NMP 1423.77
    cyclohexane 814.38
    DMSO 848.62
    n-butyl acetate 1751.11
    n-octanol 1125.85
    chloroform 6073.49
    n-propyl acetate 1161.52
    acetic acid 1245.1
    dichloromethane 4328.26
    cyclohexanone 2353.7
    propylene glycol 526.79
    isopropyl acetate 1355.02
    DMAc 1185.7
    2-ethoxyethanol 1174.92
    isopentanol 1319.68
    n-heptane 572.55
    ethyl formate 1325.86
    1,2-dichloroethane 2188.81
    n-hexanol 1549.63
    2-methoxyethanol 1653.39
    isobutyl acetate 1050.8
    tetrachloromethane 2004.2
    n-pentyl acetate 1222.37
    transcutol 2020.73
    n-heptanol 1062.94
    ethylbenzene 1095.39
    MIBK 1190.35
    2-propoxyethanol 1779.43
    tert-butanol 1463.44
    MTBE 1653.27
    2-butoxyethanol 1311.47
    propionic acid 1117.46
    o-xylene 1202.26
    formic acid 457.93
    diethyl ether 1501.57
    m-xylene 1422.89
    p-xylene 1500.69
    chlorobenzene 1993.35
    dimethyl carbonate 698.67
    n-octane 262.34
    formamide 551.25
    cyclopentanone 2300.28
    2-pentanone 1403.74
    anisole 1470.31
    cyclopentyl methyl ether 1831.3
    gamma-butyrolactone 2531.56
    1-methoxy-2-propanol 1376.14
    pyridine 2129.08
    3-pentanone 1068.88
    furfural 2311.09
    n-dodecane 211.95
    diethylene glycol 1045.75
    diisopropyl ether 899.36
    tert-amyl alcohol 1201.7
    acetylacetone 1524.47
    n-hexadecane 239.89
    acetophenone 1221.59
    methyl propionate 1154.36
    isopentyl acetate 1836.47
    trichloroethylene 4263.6
    n-nonanol 915.55
    cyclohexanol 1459.09
    benzyl alcohol 1061.67
    2-ethylhexanol 1176.55
    isooctanol 911.76
    dipropyl ether 1219.61
    1,2-dichlorobenzene 1972.94
    ethyl lactate 623.97
    propylene carbonate 1984.68
    n-methylformamide 1015.06
    2-pentanol 1077.74
    n-pentane 490.26
    1-propoxy-2-propanol 1392.7
    1-methoxy-2-propyl acetate 1424.18
    2-(2-methoxypropoxy) propanol 904.66
    mesitylene 1091.88
    ε-caprolactone 2236.36
    p-cymene 1006.44
    epichlorohydrin 2548.94
    1,1,1-trichloroethane 3297.48
    2-aminoethanol 770.26
    morpholine-4-carbaldehyde 1880.06
    sulfolane 1975.03
    2,2,4-trimethylpentane 334.07
    2-methyltetrahydrofuran 2352.17
    n-hexyl acetate 1693.36
    isooctane 338.36
    2-(2-butoxyethoxy)ethanol 1129.76
    sec-butyl acetate 984.5
    tert-butyl acetate 1387.58
    decalin 466.31
    glycerin 657.89
    diglyme 2141.39
    acrylic acid 956.91
    isopropyl myristate 781.19
    n-butyric acid 1622.06
    acetyl acetate 1264.02
    di(2-ethylhexyl) phthalate 600.32
    ethyl propionate 1084.72
    nitromethane 1680.55
    1,2-diethoxyethane 1165.05
    benzonitrile 1877.0
    trioctyl phosphate 523.83
    1-bromopropane 1671.29
    gamma-valerolactone 2857.07
    n-decanol 654.24
    triethyl phosphate 638.9
    4-methyl-2-pentanol 821.87
    propionitrile 1587.51
    vinylene carbonate 1999.52
    1,1,2-trichlorotrifluoroethane 1721.94
    DMS 1077.33
    cumene 896.0
    2-octanol 809.42
    2-hexanone 1146.0
    octyl acetate 892.64
    limonene 1172.92
    1,2-dimethoxyethane 1949.49
    ethyl orthosilicate 656.2
    tributyl phosphate 595.6
    diacetone alcohol 1139.28
    N,N-dimethylaniline 1001.49
    acrylonitrile 1662.01
    aniline 1307.33
    1,3-propanediol 1045.84
    bromobenzene 2386.15
    dibromomethane 3004.28
    1,1,2,2-tetrachloroethane 3429.68
    2-methyl-cyclohexyl acetate 1128.49
    tetrabutyl urea 658.26
    diisobutyl methanol 773.33
    2-phenylethanol 1276.63
    styrene 1194.39
    dioctyl adipate 798.26
    dimethyl sulfate 792.32
    ethyl butyrate 1318.27
    methyl lactate 682.08
    butyl lactate 859.42
    diethyl carbonate 917.8
    propanediol butyl ether 1006.59
    triethyl orthoformate 1033.33
    p-tert-butyltoluene 976.67
    methyl 4-tert-butylbenzoate 1236.68
    morpholine 2228.83
    tert-butylamine 1286.86
    n-dodecanol 500.74
    dimethoxymethane 1445.85
    ethylene carbonate 1758.39
    cyrene 774.14
    2-ethoxyethyl acetate 1223.02
    2-ethylhexyl acetate 1486.3
    1,2,4-trichlorobenzene 2049.02
    4-methylpyridine 2370.25
    dibutyl ether 1098.82
    2,6-dimethyl-4-heptanol 773.33
    DEF 1240.96
    dimethyl isosorbide 1495.6
    tetrachloroethylene 2653.31
    eugenol 1004.58
    triacetin 1151.62
    span 80 853.2
    1,4-butanediol 532.15
    1,1-dichloroethane 2817.29
    2-methyl-1-pentanol 900.25
    methyl formate 1007.9
    2-methyl-1-butanol 1198.97
    n-decane 344.94
    butyronitrile 1849.55
    3,7-dimethyl-1-octanol 1024.05
    1-chlorooctane 939.94
    1-chlorotetradecane 396.19
    n-nonane 361.86
    undecane 255.44
    tert-butylcyclohexane 474.99
    cyclooctane 464.18
    cyclopentanol 1470.2
    tetrahydropyran 2285.85
    tert-amyl methyl ether 1157.16
    2,5,8-trioxanonane 1261.34
    1-hexene 869.7
    2-isopropoxyethanol 964.73
    2,2,2-trifluoroethanol 727.38
    methyl butyrate 1358.14

    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