Bicyclo[3.1.1]hept-2-ene, 4-ethoxy-2,6,6-trimethyl-

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  • Identifiers

    Molecular formula
    C12H20O

    SMILES
    CCOC1C=C(C2CC1C2(C)C)C

  • Odor profile

    Herbal 73.87%
    Woody 67.45%
    Spicy 56.77%
    Mint 54.89%
    Fruity 54.14%
    Pine 49.69%
    Camphoreous 49.04%
    Sweet 48.57%
    Fresh 44.77%
    Balsamic 37.49%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.28 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point est.
    71.72 ˚C

  • Synonyms

    • 823204-45-1
    • Verbenyl, ethyl ether
    • Bicyclo[3.1.1]hept-2-ene, 4-ethoxy-2,6,6-trimethyl-
    • SCHEMBL16634291
    • DTXSID60340818
    • LQQWUEVOGQWTBB-UHFFFAOYSA-N
    • NS00113904

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.79
    methanol 241.15
    isopropanol 273.76
    water 3.99
    ethyl acetate 292.6
    n-propanol 276.28
    acetone 286.34
    n-butanol 292.76
    acetonitrile 377.65
    DMF 247.39
    toluene 432.65
    isobutanol 246.62
    1,4-dioxane 685.0
    methyl acetate 277.84
    THF 840.16
    2-butanone 282.51
    n-pentanol 186.44
    sec-butanol 258.17
    n-hexane 116.98
    ethylene glycol 75.02
    NMP 322.09
    cyclohexane 307.19
    DMSO 186.42
    n-butyl acetate 327.76
    n-octanol 243.55
    chloroform 1406.94
    n-propyl acetate 189.06
    acetic acid 236.6
    dichloromethane 996.46
    cyclohexanone 529.96
    propylene glycol 112.69
    isopropyl acetate 215.99
    DMAc 226.46
    2-ethoxyethanol 197.61
    isopentanol 253.29
    n-heptane 159.43
    ethyl formate 226.66
    1,2-dichloroethane 466.86
    n-hexanol 394.7
    2-methoxyethanol 299.12
    isobutyl acetate 167.96
    tetrachloromethane 354.66
    n-pentyl acetate 222.87
    transcutol 569.38
    n-heptanol 219.96
    ethylbenzene 228.01
    MIBK 202.63
    2-propoxyethanol 399.44
    tert-butanol 305.84
    MTBE 304.62
    2-butoxyethanol 256.51
    propionic acid 220.62
    o-xylene 274.92
    formic acid 76.38
    diethyl ether 341.69
    m-xylene 316.97
    p-xylene 291.54
    chlorobenzene 438.01
    dimethyl carbonate 124.0
    n-octane 62.65
    formamide 103.52
    cyclopentanone 499.24
    2-pentanone 262.91
    anisole 288.03
    cyclopentyl methyl ether 445.83
    gamma-butyrolactone 527.84
    1-methoxy-2-propanol 260.97
    pyridine 536.91
    3-pentanone 222.27
    furfural 444.78
    n-dodecane 54.65
    diethylene glycol 268.32
    diisopropyl ether 155.25
    tert-amyl alcohol 255.87
    acetylacetone 261.07
    n-hexadecane 61.93
    acetophenone 251.88
    methyl propionate 228.04
    isopentyl acetate 323.69
    trichloroethylene 837.34
    n-nonanol 211.01
    cyclohexanol 401.45
    benzyl alcohol 231.1
    2-ethylhexanol 275.51
    isooctanol 184.61
    dipropyl ether 263.85
    1,2-dichlorobenzene 410.54
    ethyl lactate 127.04
    propylene carbonate 368.66
    n-methylformamide 157.85
    2-pentanol 222.45
    n-pentane 144.18
    1-propoxy-2-propanol 320.49
    1-methoxy-2-propyl acetate 311.55
    2-(2-methoxypropoxy) propanol 255.03
    mesitylene 227.35
    ε-caprolactone 459.72
    p-cymene 210.76
    epichlorohydrin 531.22
    1,1,1-trichloroethane 640.64
    2-aminoethanol 146.2
    morpholine-4-carbaldehyde 407.62
    sulfolane 430.37
    2,2,4-trimethylpentane 73.33
    2-methyltetrahydrofuran 613.88
    n-hexyl acetate 350.73
    isooctane 68.38
    2-(2-butoxyethoxy)ethanol 310.33
    sec-butyl acetate 161.22
    tert-butyl acetate 234.12
    decalin 116.22
    glycerin 139.6
    diglyme 476.73
    acrylic acid 191.66
    isopropyl myristate 173.47
    n-butyric acid 313.42
    acetyl acetate 236.37
    di(2-ethylhexyl) phthalate 155.31
    ethyl propionate 186.21
    nitromethane 287.01
    1,2-diethoxyethane 268.83
    benzonitrile 395.08
    trioctyl phosphate 126.68
    1-bromopropane 406.95
    gamma-valerolactone 544.06
    n-decanol 161.25
    triethyl phosphate 145.9
    4-methyl-2-pentanol 161.52
    propionitrile 310.84
    vinylene carbonate 379.61
    1,1,2-trichlorotrifluoroethane 359.87
    DMS 232.5
    cumene 175.59
    2-octanol 161.57
    2-hexanone 205.79
    octyl acetate 207.51
    limonene 262.75
    1,2-dimethoxyethane 343.59
    ethyl orthosilicate 147.54
    tributyl phosphate 137.38
    diacetone alcohol 228.97
    N,N-dimethylaniline 200.27
    acrylonitrile 317.71
    aniline 344.3
    1,3-propanediol 197.08
    bromobenzene 501.72
    dibromomethane 742.98
    1,1,2,2-tetrachloroethane 665.99
    2-methyl-cyclohexyl acetate 251.28
    tetrabutyl urea 151.11
    diisobutyl methanol 166.16
    2-phenylethanol 309.31
    styrene 252.44
    dioctyl adipate 201.05
    dimethyl sulfate 148.48
    ethyl butyrate 252.09
    methyl lactate 139.15
    butyl lactate 181.38
    diethyl carbonate 190.5
    propanediol butyl ether 221.09
    triethyl orthoformate 206.12
    p-tert-butyltoluene 205.63
    methyl 4-tert-butylbenzoate 265.3
    morpholine 609.51
    tert-butylamine 260.0
    n-dodecanol 129.4
    dimethoxymethane 259.67
    ethylene carbonate 329.37
    cyrene 211.63
    2-ethoxyethyl acetate 252.47
    2-ethylhexyl acetate 283.35
    1,2,4-trichlorobenzene 454.96
    4-methylpyridine 503.8
    dibutyl ether 237.91
    2,6-dimethyl-4-heptanol 166.16
    DEF 230.09
    dimethyl isosorbide 392.66
    tetrachloroethylene 477.98
    eugenol 232.65
    triacetin 284.75
    span 80 250.04
    1,4-butanediol 96.46
    1,1-dichloroethane 585.39
    2-methyl-1-pentanol 188.33
    methyl formate 154.72
    2-methyl-1-butanol 249.4
    n-decane 85.93
    butyronitrile 333.88
    3,7-dimethyl-1-octanol 223.09
    1-chlorooctane 212.05
    1-chlorotetradecane 96.72
    n-nonane 87.18
    undecane 66.56
    tert-butylcyclohexane 100.15
    cyclooctane 139.8
    cyclopentanol 379.5
    tetrahydropyran 700.48
    tert-amyl methyl ether 227.58
    2,5,8-trioxanonane 347.19
    1-hexene 206.67
    2-isopropoxyethanol 170.85
    2,2,2-trifluoroethanol 125.73
    methyl butyrate 216.49

    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

Botanical

Name CAS Botanical Proportion
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.63%