1-Ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene

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  • Identifiers

    CAS number
    36306-86-2

    Molecular formula
    C16H28O2

    SMILES
    CCOC1=CC(C(C(C1)(C)C)C(=C)OCC)(C)C

  • Odor profile

    Fragrance
    Woody 73.0%
    Fruity 61.86%
    Herbal 60.64%
    Floral 46.44%
    Spicy 45.43%
    Camphoreous 39.63%
    Pine 37.88%
    Mint 36.65%
    Tobacco 33.99%
    Rose 32.6%

     

    Flavor
    Sweet 49.36%
    Herbal 44.11%
    Fruity 42.41%
    Woody 39.92%
    Citrus 37.32%
    Bitter 36.34%
    Pine 35.0%
    Lavender 34.33%
    Green 33.05%
    Camphor 32.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.89 (neutral)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 113.5 ˚C est.

  • Synonyms

    • 36306-86-2
    • UNII-NTJ9ZB2QZ9
    • 1-Ethoxy-4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexene
    • NTJ9ZB2QZ9
    • 1-ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
    • Cyclohexene, 1-ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-
    • EINECS 252-960-7
    • DTXSID60865814
    • 3,3,5,5-Tetramethyl-1-ethoxy-4-(1-ethoxyvinyl)-1-cyclohexene
    • SCHEMBL5836833
    • DTXCID50814179
    • FECJTTMWFXVFRG-UHFFFAOYSA-N
    • NS00012361
    • Q27285050
    • 252-960-7

  • Applications

    CAS 36306-86-2 (1-Ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene) is a substituted vinyl-ether cyclohexene derivative used as an intermediate in organic synthesis; in specialty polymers and vinyl ether resins, it can serve as a monomer or a crosslinking component; in coatings, inks and adhesives formulations, it may function as a reactive diluent or plasticizer designed for film-forming systems; in UV-curable formulations, it is a precursor for functional polymer materials and crosslinked networks; in research and development, it is used as a building block for synthesis of more complex intermediates in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1000.33
    methanol 990.79
    isopropanol 1069.83
    water 3.33
    ethyl acetate 1918.82
    n-propanol 1153.85
    acetone 1668.28
    n-butanol 1145.21
    acetonitrile 1216.62
    DMF 1572.62
    toluene 2541.89
    isobutanol 1163.62
    1,4-dioxane 2539.44
    methyl acetate 1567.45
    THF 4345.75
    2-butanone 1478.63
    n-pentanol 873.35
    sec-butanol 1257.97
    n-hexane 946.97
    ethylene glycol 181.93
    NMP 2533.8
    cyclohexane 2316.62
    DMSO 976.76
    n-butyl acetate 1427.94
    n-octanol 960.49
    chloroform 6396.69
    n-propyl acetate 1120.23
    acetic acid 1410.22
    dichloromethane 4464.52
    cyclohexanone 3575.45
    propylene glycol 353.07
    isopropyl acetate 1241.87
    DMAc 1536.63
    2-ethoxyethanol 638.04
    isopentanol 1042.2
    n-heptane 932.07
    ethyl formate 1042.78
    1,2-dichloroethane 2302.0
    n-hexanol 1753.06
    2-methoxyethanol 973.23
    isobutyl acetate 849.24
    tetrachloromethane 1572.89
    n-pentyl acetate 1143.57
    transcutol 1565.47
    n-heptanol 790.2
    ethylbenzene 1126.94
    MIBK 1025.57
    2-propoxyethanol 1264.18
    tert-butanol 1326.7
    MTBE 1578.69
    2-butoxyethanol 635.4
    propionic acid 1206.08
    o-xylene 1413.06
    formic acid 369.41
    diethyl ether 1881.61
    m-xylene 1766.41
    p-xylene 1481.91
    chlorobenzene 2297.84
    dimethyl carbonate 761.48
    n-octane 304.21
    formamide 347.26
    cyclopentanone 3081.64
    2-pentanone 1582.93
    anisole 1055.96
    cyclopentyl methyl ether 3280.95
    gamma-butyrolactone 3280.3
    1-methoxy-2-propanol 976.4
    pyridine 2475.75
    3-pentanone 1397.18
    furfural 1895.41
    n-dodecane 189.02
    diethylene glycol 610.3
    diisopropyl ether 836.11
    tert-amyl alcohol 1257.64
    acetylacetone 1475.53
    n-hexadecane 222.01
    acetophenone 938.93
    methyl propionate 1543.55
    isopentyl acetate 1227.56
    trichloroethylene 4540.73
    n-nonanol 769.68
    cyclohexanol 2521.53
    benzyl alcohol 897.46
    2-ethylhexanol 1120.05
    isooctanol 633.59
    dipropyl ether 1255.09
    1,2-dichlorobenzene 1675.82
    ethyl lactate 460.43
    propylene carbonate 2006.62
    n-methylformamide 835.17
    2-pentanol 1148.45
    n-pentane 952.23
    1-propoxy-2-propanol 1018.28
    1-methoxy-2-propyl acetate 1219.77
    2-(2-methoxypropoxy) propanol 643.64
    mesitylene 1089.36
    ε-caprolactone 2717.17
    p-cymene 760.65
    epichlorohydrin 2601.49
    1,1,1-trichloroethane 3289.16
    2-aminoethanol 396.7
    morpholine-4-carbaldehyde 1705.68
    sulfolane 2599.02
    2,2,4-trimethylpentane 419.37
    2-methyltetrahydrofuran 3758.41
    n-hexyl acetate 1730.81
    isooctane 294.16
    2-(2-butoxyethoxy)ethanol 767.67
    sec-butyl acetate 825.58
    tert-butyl acetate 1210.18
    decalin 696.75
    glycerin 386.62
    diglyme 1289.1
    acrylic acid 994.37
    isopropyl myristate 602.8
    n-butyric acid 1657.88
    acetyl acetate 1381.75
    di(2-ethylhexyl) phthalate 490.25
    ethyl propionate 1048.9
    nitromethane 1587.4
    1,2-diethoxyethane 899.26
    benzonitrile 1328.32
    trioctyl phosphate 417.69
    1-bromopropane 2190.68
    gamma-valerolactone 2736.57
    n-decanol 534.49
    triethyl phosphate 501.71
    4-methyl-2-pentanol 676.46
    propionitrile 1172.63
    vinylene carbonate 1848.39
    1,1,2-trichlorotrifluoroethane 1580.26
    DMS 1157.79
    cumene 728.43
    2-octanol 748.63
    2-hexanone 1098.39
    octyl acetate 784.44
    limonene 1215.05
    1,2-dimethoxyethane 1224.45
    ethyl orthosilicate 492.99
    tributyl phosphate 479.66
    diacetone alcohol 903.58
    N,N-dimethylaniline 763.58
    acrylonitrile 1135.86
    aniline 1601.76
    1,3-propanediol 574.96
    bromobenzene 2747.02
    dibromomethane 3576.17
    1,1,2,2-tetrachloroethane 3585.46
    2-methyl-cyclohexyl acetate 889.51
    tetrabutyl urea 579.78
    diisobutyl methanol 514.2
    2-phenylethanol 1006.65
    styrene 1231.29
    dioctyl adipate 756.99
    dimethyl sulfate 945.55
    ethyl butyrate 964.21
    methyl lactate 575.73
    butyl lactate 691.3
    diethyl carbonate 671.71
    propanediol butyl ether 697.06
    triethyl orthoformate 708.0
    p-tert-butyltoluene 730.63
    methyl 4-tert-butylbenzoate 908.42
    morpholine 2576.91
    tert-butylamine 1186.17
    n-dodecanol 392.81
    dimethoxymethane 1372.16
    ethylene carbonate 1654.12
    cyrene 732.1
    2-ethoxyethyl acetate 1044.98
    2-ethylhexyl acetate 1180.3
    1,2,4-trichlorobenzene 1821.06
    4-methylpyridine 2822.47
    dibutyl ether 1022.02
    2,6-dimethyl-4-heptanol 514.2
    DEF 1516.21
    dimethyl isosorbide 1218.43
    tetrachloroethylene 2595.49
    eugenol 690.27
    triacetin 1186.52
    span 80 768.89
    1,4-butanediol 297.85
    1,1-dichloroethane 2923.73
    2-methyl-1-pentanol 820.98
    methyl formate 878.62
    2-methyl-1-butanol 1143.41
    n-decane 384.78
    butyronitrile 1322.12
    3,7-dimethyl-1-octanol 754.11
    1-chlorooctane 1022.77
    1-chlorotetradecane 345.33
    n-nonane 439.71
    undecane 259.32
    tert-butylcyclohexane 544.19
    cyclooctane 924.67
    cyclopentanol 2180.86
    tetrahydropyran 4144.06
    tert-amyl methyl ether 1382.06
    2,5,8-trioxanonane 884.42
    1-hexene 1438.78
    2-isopropoxyethanol 580.55
    2,2,2-trifluoroethanol 583.74
    methyl butyrate 1281.81

    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