1-Ethyl-3-methoxytricyclo[2.2.1.02,6]heptane

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  • Identifiers

    CAS number
    31996-78-8

    Molecular formula
    C10H16O

    SMILES
    CCC12CC3CC1C2C3OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 63.85%
    Herbal 54.27%
    Green 43.62%
    Spicy 42.38%
    Floral 41.23%
    Fruity 37.81%
    Fresh 35.73%
    Earthy 33.78%
    Mint 29.42%
    Citrus 28.38%

     

    Flavor
    Fruity 36.12%
    Fruit 29.11%
    Green 28.39%
    Bitter 28.12%
    Earthy 27.56%
    Fatty 26.52%
    Waxy 26.34%
    Herbal 26.22%
    Herb 23.91%
    Cedarleaf 22.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.98 (neutral)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point

    • 24.37 ˚C est.

  • Synonyms

    • 31996-78-8
    • Tricyclo(2.2.1.02,6)heptane, 1-ethyl-3-methoxy-
    • Tricyclo[2.2.1.02,6]heptane, 1-ethyl-3-methoxy-
    • DTXSID9051371
    • 1-ethyl-3-methoxytricyclo[2.2.1.02,6]heptane
    • 1-Ethyl-3-methoxytricyclo(2.2.1.02,6)heptane
    • RefChem:230294
    • DTXCID0029973
    • 608-690-0
    • Trixyclo[2.2.1.02.6]heptane,1-ethyl-3-methoxy
    • SCHEMBL1473211
    • MTDYTPWUZGEKKE-UHFFFAOYSA-N
    • NS00029204
    • 1-Ethyl-3-methoxytricyclo[2.2.1.0~2,6~]heptane
    • 31996-78-8

  • Applications

    1-Ethyl-3-methoxytricyclo[2.2.1.02,6]heptane (CAS 31996-78-8) is a rigid norbornane-type framework often evaluated as a fragrance odorant; in industry it is commonly used as a fragrance ingredient in perfumery and cosmetics/personal care, as a scent additive in household and cleaning products, and as an intermediate in the synthesis of specialty fragrance compounds for industrial manufacturing; researchers may also employ it in fragrance development programs and in coatings/inks to impart a characteristic and stable odor, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 921.46
    methanol 1076.02
    isopropanol 699.7
    water 19.99
    ethyl acetate 558.92
    n-propanol 653.1
    acetone 500.93
    n-butanol 641.27
    acetonitrile 738.3
    DMF 357.77
    toluene 436.42
    isobutanol 459.59
    1,4-dioxane 1061.92
    methyl acetate 449.85
    THF 1146.08
    2-butanone 371.15
    n-pentanol 289.17
    sec-butanol 366.19
    n-hexane 38.91
    ethylene glycol 295.64
    NMP 208.6
    cyclohexane 121.26
    DMSO 264.51
    n-butyl acetate 377.84
    n-octanol 165.4
    chloroform 1766.58
    n-propyl acetate 258.44
    acetic acid 653.02
    dichloromethane 1408.59
    cyclohexanone 478.2
    propylene glycol 266.08
    isopropyl acetate 390.84
    DMAc 209.77
    2-ethoxyethanol 516.29
    isopentanol 486.64
    n-heptane 58.53
    ethyl formate 481.02
    1,2-dichloroethane 623.25
    n-hexanol 421.54
    2-methoxyethanol 995.83
    isobutyl acetate 208.12
    tetrachloromethane 389.79
    n-pentyl acetate 193.92
    transcutol 1013.17
    n-heptanol 193.34
    ethylbenzene 159.03
    MIBK 309.34
    2-propoxyethanol 734.96
    tert-butanol 514.97
    MTBE 380.63
    2-butoxyethanol 364.48
    propionic acid 368.53
    o-xylene 204.65
    formic acid 385.23
    diethyl ether 508.73
    m-xylene 274.53
    p-xylene 199.9
    chlorobenzene 455.51
    dimethyl carbonate 195.43
    n-octane 24.27
    formamide 430.96
    cyclopentanone 507.65
    2-pentanone 374.61
    anisole 320.25
    cyclopentyl methyl ether 405.36
    gamma-butyrolactone 611.26
    1-methoxy-2-propanol 657.44
    pyridine 753.56
    3-pentanone 223.6
    furfural 627.9
    n-dodecane 24.44
    diethylene glycol 637.22
    diisopropyl ether 175.22
    tert-amyl alcohol 284.84
    acetylacetone 430.78
    n-hexadecane 27.4
    acetophenone 229.44
    methyl propionate 319.18
    isopentyl acetate 354.94
    trichloroethylene 1048.77
    n-nonanol 149.29
    cyclohexanol 380.25
    benzyl alcohol 287.52
    2-ethylhexanol 204.97
    isooctanol 161.44
    dipropyl ether 236.51
    1,2-dichlorobenzene 369.92
    ethyl lactate 152.86
    propylene carbonate 457.5
    n-methylformamide 400.83
    2-pentanol 334.68
    n-pentane 81.19
    1-propoxy-2-propanol 415.44
    1-methoxy-2-propyl acetate 415.72
    2-(2-methoxypropoxy) propanol 240.29
    mesitylene 175.18
    ε-caprolactone 453.98
    p-cymene 137.77
    epichlorohydrin 806.89
    1,1,1-trichloroethane 677.41
    2-aminoethanol 460.77
    morpholine-4-carbaldehyde 475.02
    sulfolane 334.92
    2,2,4-trimethylpentane 39.04
    2-methyltetrahydrofuran 577.66
    n-hexyl acetate 237.79
    isooctane 49.96
    2-(2-butoxyethoxy)ethanol 364.7
    sec-butyl acetate 207.62
    tert-butyl acetate 326.71
    decalin 48.24
    glycerin 383.36
    diglyme 679.83
    acrylic acid 328.32
    isopropyl myristate 116.56
    n-butyric acid 653.74
    acetyl acetate 422.36
    di(2-ethylhexyl) phthalate 112.84
    ethyl propionate 240.99
    nitromethane 657.98
    1,2-diethoxyethane 374.58
    benzonitrile 439.02
    trioctyl phosphate 85.87
    1-bromopropane 409.7
    gamma-valerolactone 740.39
    n-decanol 112.63
    triethyl phosphate 119.16
    4-methyl-2-pentanol 245.34
    propionitrile 587.1
    vinylene carbonate 484.87
    1,1,2-trichlorotrifluoroethane 480.22
    DMS 196.78
    cumene 121.84
    2-octanol 122.22
    2-hexanone 205.91
    octyl acetate 130.86
    limonene 149.78
    1,2-dimethoxyethane 639.39
    ethyl orthosilicate 128.19
    tributyl phosphate 96.3
    diacetone alcohol 304.64
    N,N-dimethylaniline 162.97
    acrylonitrile 595.5
    aniline 440.01
    1,3-propanediol 728.62
    bromobenzene 492.17
    dibromomethane 921.85
    1,1,2,2-tetrachloroethane 710.42
    2-methyl-cyclohexyl acetate 190.58
    tetrabutyl urea 94.7
    diisobutyl methanol 157.74
    2-phenylethanol 352.82
    styrene 196.03
    dioctyl adipate 131.57
    dimethyl sulfate 160.26
    ethyl butyrate 282.03
    methyl lactate 207.53
    butyl lactate 160.94
    diethyl carbonate 201.79
    propanediol butyl ether 257.34
    triethyl orthoformate 204.15
    p-tert-butyltoluene 132.73
    methyl 4-tert-butylbenzoate 204.55
    morpholine 923.55
    tert-butylamine 401.33
    n-dodecanol 89.79
    dimethoxymethane 532.22
    ethylene carbonate 449.2
    cyrene 178.96
    2-ethoxyethyl acetate 293.96
    2-ethylhexyl acetate 253.51
    1,2,4-trichlorobenzene 379.23
    4-methylpyridine 577.22
    dibutyl ether 163.32
    2,6-dimethyl-4-heptanol 157.74
    DEF 261.06
    dimethyl isosorbide 327.12
    tetrachloroethylene 572.34
    eugenol 209.0
    triacetin 221.81
    span 80 202.78
    1,4-butanediol 244.99
    1,1-dichloroethane 743.2
    2-methyl-1-pentanol 229.95
    methyl formate 357.75
    2-methyl-1-butanol 354.68
    n-decane 36.85
    butyronitrile 644.51
    3,7-dimethyl-1-octanol 175.33
    1-chlorooctane 109.99
    1-chlorotetradecane 53.59
    n-nonane 33.45
    undecane 29.21
    tert-butylcyclohexane 42.73
    cyclooctane 50.5
    cyclopentanol 378.62
    tetrahydropyran 767.69
    tert-amyl methyl ether 201.05
    2,5,8-trioxanonane 392.3
    1-hexene 115.35
    2-isopropoxyethanol 335.98
    2,2,2-trifluoroethanol 302.42
    methyl butyrate 280.05

    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