Bicyclo[2.2.1]heptane, 2-ethyl-6-methoxy-

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  • Identifiers

    CAS number
    862111-34-0

    Molecular formula
    C10H18O

    SMILES
    CCC1CC2CC1C(C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 72.14%
    Green 61.66%
    Floral 49.71%
    Mint 48.26%
    Woody 47.4%
    Fresh 46.16%
    Spicy 40.54%
    Citrus 37.75%
    Earthy 34.52%
    Fruity 32.43%

     

    Flavor
    Herbal 40.35%
    Green 36.03%
    Sweet 35.49%
    Fruity 35.04%
    Herb 32.9%
    Fruit 30.32%
    Minty 29.11%
    Earthy 27.39%
    Mentholic 23.34%
    Tropical 23.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.22 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    197°C

    Flash point

    • 56.95 ˚C est.

  • Synonyms

    • DTXSID9051404
    • Bicyclo(2.2.1)heptane, 2-ethyl-6-methoxy-
    • Bicyclo[2.2.1]heptane, 2-ethyl-6-methoxy-
    • RefChem:568304
    • DTXCID3030006
    • 862111-34-0
    • FWLNBJNNPNLPMQ-UHFFFAOYSA-N
    • 2-ETHYL-6-METHOXYBICYCLO[2.2.1]HEPTANE
    • 862111-34-0

  • Applications

    Bicyclo[2.2.1]heptane, 2-ethyl-6-methoxy- (CAS 862111-34-0) is primarily used as a synthetic intermediate to access diverse bicyclic compounds for pharmaceutical and agrochemical R&D; it provides a rigid bicyclic framework that supports lead optimization in medicinal chemistry; it can serve as a precursor for specialty materials and high-performance polymers; and it may be evaluated for fragrance chemistry as a building block for aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2606.13
    methanol 2215.87
    isopropanol 2444.97
    water 10.69
    ethyl acetate 1621.57
    n-propanol 2073.37
    acetone 1675.04
    n-butanol 2019.4
    acetonitrile 2449.24
    DMF 1014.96
    toluene 1116.88
    isobutanol 1599.94
    1,4-dioxane 3158.15
    methyl acetate 1326.52
    THF 3602.56
    2-butanone 1273.47
    n-pentanol 1031.89
    sec-butanol 1477.01
    n-hexane 231.12
    ethylene glycol 531.77
    NMP 748.09
    cyclohexane 618.03
    DMSO 942.49
    n-butyl acetate 1520.71
    n-octanol 626.99
    chloroform 6804.32
    n-propyl acetate 819.75
    acetic acid 1754.55
    dichloromethane 5067.56
    cyclohexanone 1813.68
    propylene glycol 718.85
    isopropyl acetate 1060.86
    DMAc 598.75
    2-ethoxyethanol 1272.82
    isopentanol 1538.75
    n-heptane 323.1
    ethyl formate 1408.81
    1,2-dichloroethane 2097.69
    n-hexanol 1726.71
    2-methoxyethanol 2214.33
    isobutyl acetate 618.76
    tetrachloromethane 1410.73
    n-pentyl acetate 689.39
    transcutol 2429.47
    n-heptanol 688.51
    ethylbenzene 483.94
    MIBK 818.01
    2-propoxyethanol 2053.69
    tert-butanol 1960.94
    MTBE 1450.47
    2-butoxyethanol 987.9
    propionic acid 1282.58
    o-xylene 564.33
    formic acid 541.98
    diethyl ether 1599.19
    m-xylene 700.88
    p-xylene 606.87
    chlorobenzene 1498.26
    dimethyl carbonate 397.45
    n-octane 119.7
    formamide 582.21
    cyclopentanone 1718.86
    2-pentanone 1174.54
    anisole 829.17
    cyclopentyl methyl ether 1391.26
    gamma-butyrolactone 1995.1
    1-methoxy-2-propanol 1594.03
    pyridine 2223.44
    3-pentanone 724.62
    furfural 1852.46
    n-dodecane 94.1
    diethylene glycol 1363.41
    diisopropyl ether 541.46
    tert-amyl alcohol 1113.57
    acetylacetone 1097.78
    n-hexadecane 105.98
    acetophenone 623.65
    methyl propionate 889.28
    isopentyl acetate 1272.46
    trichloroethylene 3545.91
    n-nonanol 508.97
    cyclohexanol 1508.95
    benzyl alcohol 752.1
    2-ethylhexanol 862.84
    isooctanol 541.01
    dipropyl ether 974.81
    1,2-dichlorobenzene 1172.59
    ethyl lactate 411.02
    propylene carbonate 1469.11
    n-methylformamide 1017.58
    2-pentanol 1164.79
    n-pentane 371.9
    1-propoxy-2-propanol 1381.31
    1-methoxy-2-propyl acetate 1064.9
    2-(2-methoxypropoxy) propanol 609.37
    mesitylene 454.19
    ε-caprolactone 1531.19
    p-cymene 415.23
    epichlorohydrin 2450.84
    1,1,1-trichloroethane 2616.07
    2-aminoethanol 1036.79
    morpholine-4-carbaldehyde 1254.47
    sulfolane 1319.53
    2,2,4-trimethylpentane 158.44
    2-methyltetrahydrofuran 2239.61
    n-hexyl acetate 874.7
    isooctane 178.32
    2-(2-butoxyethoxy)ethanol 916.02
    sec-butyl acetate 591.01
    tert-butyl acetate 916.2
    decalin 195.04
    glycerin 799.86
    diglyme 1771.97
    acrylic acid 1014.84
    isopropyl myristate 373.45
    n-butyric acid 2140.09
    acetyl acetate 1111.48
    di(2-ethylhexyl) phthalate 323.26
    ethyl propionate 665.29
    nitromethane 1900.97
    1,2-diethoxyethane 1054.3
    benzonitrile 1350.33
    trioctyl phosphate 250.69
    1-bromopropane 1695.46
    gamma-valerolactone 2068.61
    n-decanol 372.96
    triethyl phosphate 320.73
    4-methyl-2-pentanol 699.92
    propionitrile 1881.92
    vinylene carbonate 1523.25
    1,1,2-trichlorotrifluoroethane 1533.32
    DMS 510.32
    cumene 339.53
    2-octanol 430.86
    2-hexanone 732.91
    octyl acetate 441.58
    limonene 564.04
    1,2-dimethoxyethane 1723.01
    ethyl orthosilicate 339.79
    tributyl phosphate 292.57
    diacetone alcohol 827.89
    N,N-dimethylaniline 441.03
    acrylonitrile 1877.4
    aniline 1193.13
    1,3-propanediol 1624.67
    bromobenzene 1655.79
    dibromomethane 3479.92
    1,1,2,2-tetrachloroethane 2520.51
    2-methyl-cyclohexyl acetate 577.69
    tetrabutyl urea 311.8
    diisobutyl methanol 512.69
    2-phenylethanol 898.53
    styrene 611.24
    dioctyl adipate 435.66
    dimethyl sulfate 386.92
    ethyl butyrate 933.46
    methyl lactate 497.01
    butyl lactate 467.31
    diethyl carbonate 599.68
    propanediol butyl ether 756.0
    triethyl orthoformate 615.22
    p-tert-butyltoluene 381.49
    methyl 4-tert-butylbenzoate 563.73
    morpholine 2717.98
    tert-butylamine 1437.57
    n-dodecanol 288.59
    dimethoxymethane 1175.72
    ethylene carbonate 1350.41
    cyrene 462.82
    2-ethoxyethyl acetate 797.45
    2-ethylhexyl acetate 878.38
    1,2,4-trichlorobenzene 1227.42
    4-methylpyridine 1836.98
    dibutyl ether 695.36
    2,6-dimethyl-4-heptanol 512.69
    DEF 815.44
    dimethyl isosorbide 922.79
    tetrachloroethylene 1874.7
    eugenol 537.29
    triacetin 647.4
    span 80 604.19
    1,4-butanediol 636.14
    1,1-dichloroethane 2957.97
    2-methyl-1-pentanol 786.43
    methyl formate 886.37
    2-methyl-1-butanol 1233.83
    n-decane 159.64
    butyronitrile 2353.66
    3,7-dimethyl-1-octanol 587.69
    1-chlorooctane 474.43
    1-chlorotetradecane 191.24
    n-nonane 167.72
    undecane 116.69
    tert-butylcyclohexane 177.32
    cyclooctane 226.87
    cyclopentanol 1495.07
    tetrahydropyran 2864.64
    tert-amyl methyl ether 750.63
    2,5,8-trioxanonane 982.64
    1-hexene 625.54
    2-isopropoxyethanol 911.63
    2,2,2-trifluoroethanol 649.55
    methyl butyrate 872.86

    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