2-Ethyl-5-methoxybicyclo[2.2.1]heptane

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  • Identifiers

    CAS number
    122795-41-9

    Molecular formula
    C10H18O

    SMILES
    CCC1CC2CC1CC2OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 70.03%
    Green 69.95%
    Floral 55.16%
    Woody 49.86%
    Fresh 47.61%
    Citrus 43.22%
    Spicy 39.62%
    Mint 37.8%
    Rose 33.19%
    Earthy 32.22%

     

    Flavor
    Fruity 39.44%
    Herbal 38.03%
    Green 36.69%
    Sweet 33.02%
    Herb 32.99%
    Fruit 31.69%
    Earthy 27.44%
    Minty 25.84%
    Mentholic 23.17%
    Tropical 22.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.2 (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

    • 58.01 ˚C est.

  • Synonyms

    • 2-ethyl-5-methoxybicyclo[2.2.1]heptane
    • 122795-41-9
    • Bicyclo[2.2.1]heptane, 2-ethyl-5-methoxy-
    • Bicyclo(2.2.1)heptane, 2-ethyl-5-methoxy-
    • DTXSID8051627
    • BICYCLO[2.2.1]HEPT,2-ETH-5(OR 6)-METHOXY TRICYCLO[2.2.1.0(2,6)]HEPT 1-ETH-3-METHOXY
    • 2-Ethyl-5-methoxybicyclo(2.2.1)heptane
    • SCHEMBL1923999
    • DTXCID9030179
    • UNUPWPQAAUTOII-UHFFFAOYSA-N
    • NS00023999
    • 602-893-8

  • Applications

    2-Ethyl-5-methoxybicyclo[2.2.1]heptane (CAS 122795-41-9) is primarily used as a synthetic intermediate in fragrance and flavor chemistry, where its rigid norbornane skeleton provides a stereochemical scaffold for constructing odorant and fragrance ingredients; it is commonly evaluated as a building block in specialty chemical syntheses for cosmetics and personal care formulations; it may act as a fragrance fixative or scent component in perfumery and household products; in industrial manufacturing it serves as an intermediate for other specialty chemicals and can be used in polymers/plastics and coatings/inks as a stereochemical building block or processing aid; formulation contexts in cleaning products may also consider it as a fragrance-related additive subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7389.44
    methanol 6593.88
    isopropanol 6122.94
    water 16.41
    ethyl acetate 7506.4
    n-propanol 5648.07
    acetone 6196.23
    n-butanol 6259.01
    acetonitrile 7039.45
    DMF 2565.49
    toluene 2652.36
    isobutanol 4200.78
    1,4-dioxane 9719.76
    methyl acetate 4206.13
    THF 9415.26
    2-butanone 3450.33
    n-pentanol 2342.79
    sec-butanol 3324.42
    n-hexane 471.23
    ethylene glycol 1117.02
    NMP 1497.16
    cyclohexane 1424.21
    DMSO 2189.37
    n-butyl acetate 4517.67
    n-octanol 836.2
    chloroform 15601.39
    n-propyl acetate 2458.14
    acetic acid 6498.6
    dichloromethane 12500.05
    cyclohexanone 4359.98
    propylene glycol 1236.48
    isopropyl acetate 4873.15
    DMAc 1377.83
    2-ethoxyethanol 3216.95
    isopentanol 5232.95
    n-heptane 484.06
    ethyl formate 4264.01
    1,2-dichloroethane 6146.04
    n-hexanol 3707.02
    2-methoxyethanol 6684.12
    isobutyl acetate 1592.21
    tetrachloromethane 3499.1
    n-pentyl acetate 1697.1
    transcutol 7945.77
    n-heptanol 1108.29
    ethylbenzene 781.88
    MIBK 2635.63
    2-propoxyethanol 5320.48
    tert-butanol 5118.96
    MTBE 5248.99
    2-butoxyethanol 2059.29
    propionic acid 3419.78
    o-xylene 1013.28
    formic acid 1919.06
    diethyl ether 7290.73
    m-xylene 1491.43
    p-xylene 971.33
    chlorobenzene 3461.88
    dimethyl carbonate 1187.33
    n-octane 139.28
    formamide 2210.27
    cyclopentanone 4119.25
    2-pentanone 3865.39
    anisole 1662.91
    cyclopentyl methyl ether 3946.46
    gamma-butyrolactone 5214.24
    1-methoxy-2-propanol 4330.16
    pyridine 5645.01
    3-pentanone 2188.17
    furfural 4101.99
    n-dodecane 100.72
    diethylene glycol 3470.13
    diisopropyl ether 2184.22
    tert-amyl alcohol 2577.89
    acetylacetone 4150.87
    n-hexadecane 116.38
    acetophenone 1155.24
    methyl propionate 2957.93
    isopentyl acetate 3480.91
    trichloroethylene 9965.06
    n-nonanol 706.05
    cyclohexanol 3592.1
    benzyl alcohol 1406.2
    2-ethylhexanol 1671.96
    isooctanol 840.99
    dipropyl ether 2503.18
    1,2-dichlorobenzene 2451.39
    ethyl lactate 751.35
    propylene carbonate 3523.29
    n-methylformamide 2916.37
    2-pentanol 3361.96
    n-pentane 939.89
    1-propoxy-2-propanol 3197.0
    1-methoxy-2-propyl acetate 3296.23
    2-(2-methoxypropoxy) propanol 1022.86
    mesitylene 907.19
    ε-caprolactone 4054.04
    p-cymene 601.27
    epichlorohydrin 6873.27
    1,1,1-trichloroethane 7490.95
    2-aminoethanol 2213.38
    morpholine-4-carbaldehyde 3255.09
    sulfolane 2429.41
    2,2,4-trimethylpentane 299.48
    2-methyltetrahydrofuran 6309.47
    n-hexyl acetate 1848.76
    isooctane 371.69
    2-(2-butoxyethoxy)ethanol 1826.15
    sec-butyl acetate 1808.62
    tert-butyl acetate 3580.22
    decalin 321.23
    glycerin 1559.6
    diglyme 3925.97
    acrylic acid 2531.56
    isopropyl myristate 568.69
    n-butyric acid 7157.29
    acetyl acetate 4922.89
    di(2-ethylhexyl) phthalate 459.61
    ethyl propionate 1867.14
    nitromethane 6678.87
    1,2-diethoxyethane 4021.37
    benzonitrile 2485.9
    trioctyl phosphate 341.34
    1-bromopropane 4155.21
    gamma-valerolactone 5625.76
    n-decanol 481.31
    triethyl phosphate 583.53
    4-methyl-2-pentanol 1935.08
    propionitrile 4924.04
    vinylene carbonate 3511.49
    1,1,2-trichlorotrifluoroethane 3833.18
    DMS 1238.41
    cumene 506.4
    2-octanol 607.39
    2-hexanone 1776.12
    octyl acetate 692.01
    limonene 947.51
    1,2-dimethoxyethane 4958.57
    ethyl orthosilicate 674.47
    tributyl phosphate 501.5
    diacetone alcohol 2273.24
    N,N-dimethylaniline 754.23
    acrylonitrile 4679.65
    aniline 2850.83
    1,3-propanediol 4537.12
    bromobenzene 3676.82
    dibromomethane 7970.8
    1,1,2,2-tetrachloroethane 6199.93
    2-methyl-cyclohexyl acetate 1087.94
    tetrabutyl urea 459.06
    diisobutyl methanol 935.08
    2-phenylethanol 1748.65
    styrene 1100.87
    dioctyl adipate 650.29
    dimethyl sulfate 960.76
    ethyl butyrate 2496.34
    methyl lactate 1102.05
    butyl lactate 863.8
    diethyl carbonate 1380.59
    propanediol butyl ether 1196.18
    triethyl orthoformate 1444.85
    p-tert-butyltoluene 581.11
    methyl 4-tert-butylbenzoate 829.28
    morpholine 8436.79
    tert-butylamine 3892.68
    n-dodecanol 352.1
    dimethoxymethane 3979.08
    ethylene carbonate 3567.62
    cyrene 679.23
    2-ethoxyethyl acetate 2429.64
    2-ethylhexyl acetate 2300.61
    1,2,4-trichlorobenzene 2517.09
    4-methylpyridine 4573.38
    dibutyl ether 1443.31
    2,6-dimethyl-4-heptanol 935.08
    DEF 2728.04
    dimethyl isosorbide 1637.06
    tetrachloroethylene 4998.41
    eugenol 773.57
    triacetin 1190.43
    span 80 896.88
    1,4-butanediol 1187.12
    1,1-dichloroethane 7837.16
    2-methyl-1-pentanol 1830.51
    methyl formate 2378.33
    2-methyl-1-butanol 3505.42
    n-decane 180.36
    butyronitrile 6153.34
    3,7-dimethyl-1-octanol 915.18
    1-chlorooctane 616.36
    1-chlorotetradecane 230.25
    n-nonane 180.8
    undecane 128.07
    tert-butylcyclohexane 290.86
    cyclooctane 411.51
    cyclopentanol 3162.6
    tetrahydropyran 8224.68
    tert-amyl methyl ether 2181.3
    2,5,8-trioxanonane 1810.89
    1-hexene 1297.15
    2-isopropoxyethanol 2143.74
    2,2,2-trifluoroethanol 2249.57
    methyl butyrate 2439.64

    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