Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-

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  • Identifiers

    CAS number
    27153-54-4

    Molecular formula
    C12H22O

    SMILES
    CCOC(C)(C)C1CCC(=CC1)C

  • Odor profile

    Fragrance
    Citrus 71.83%
    Green 59.92%
    Woody 59.0%
    Herbal 57.67%
    Floral 56.23%
    Lemon 53.99%
    Fresh 51.59%
    Spicy 50.79%
    Terpenic 43.89%
    Fatty 37.72%

     

    Flavor
    Green 35.94%
    Herbal 34.79%
    Citrus 32.53%
    Sweet 28.72%
    Woody 28.34%
    Pine 26.77%
    Earthy 23.44%
    Wood 23.26%
    Herb 22.84%
    Floral 22.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.8 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 69.36 ˚C est.

  • Synonyms

    • Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
    • 27153-54-4
    • EINECS 248-270-0
    • DTXSID70865340
    • 4-(1-Ethoxy-1-methylethyl)-1-methylcyclohexene
    • 4-(1-Methyl-1-ethoxyethane)-1-methyl-1-cyclohexene
    • DTXCID70813760
    • LWKGCNDRHJSSMK-UHFFFAOYSA-N
    • NS00050862
    • 248-270-0

  • Applications

    Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl- (CAS 27153-54-4) is primarily used as an organic synthesis intermediate. In industry, it serves as a building block for fragrance chemistry, providing a precursor to substituted cyclohexene derivatives used in perfumery. It also functions as a building block for specialty polymers and resins, potentially acting as a monomer or comonomer in polymer and coating formulations. In coatings and inks, it can be used as an intermediate to tailor reactivity and performance. The compound is evaluated as a synthetic intermediate in pharmaceutical and agrochemical development and may appear in cleaning formulations as a component or comonomer depending on formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1343.09
    methanol 990.31
    isopropanol 1299.44
    water 1.55
    ethyl acetate 1453.97
    n-propanol 1227.35
    acetone 804.17
    n-butanol 1579.27
    acetonitrile 935.04
    DMF 539.47
    toluene 1350.96
    isobutanol 1100.72
    1,4-dioxane 2818.2
    methyl acetate 909.1
    THF 2614.85
    2-butanone 969.11
    n-pentanol 930.46
    sec-butanol 1271.12
    n-hexane 996.16
    ethylene glycol 121.02
    NMP 677.75
    cyclohexane 1655.76
    DMSO 475.76
    n-butyl acetate 1578.03
    n-octanol 887.24
    chloroform 3941.68
    n-propyl acetate 704.15
    acetic acid 613.04
    dichloromethane 2780.28
    cyclohexanone 1584.1
    propylene glycol 263.77
    isopropyl acetate 986.86
    DMAc 674.91
    2-ethoxyethanol 725.06
    isopentanol 1357.19
    n-heptane 1030.08
    ethyl formate 558.63
    1,2-dichloroethane 1357.11
    n-hexanol 2104.75
    2-methoxyethanol 965.88
    isobutyl acetate 564.41
    tetrachloromethane 1011.23
    n-pentyl acetate 852.08
    transcutol 2886.03
    n-heptanol 830.61
    ethylbenzene 633.69
    MIBK 631.84
    2-propoxyethanol 1497.52
    tert-butanol 1714.93
    MTBE 2027.37
    2-butoxyethanol 790.16
    propionic acid 568.42
    o-xylene 787.32
    formic acid 137.25
    diethyl ether 2275.68
    m-xylene 828.91
    p-xylene 778.83
    chlorobenzene 1173.91
    dimethyl carbonate 213.63
    n-octane 294.62
    formamide 185.07
    cyclopentanone 1069.53
    2-pentanone 947.54
    anisole 803.52
    cyclopentyl methyl ether 1785.21
    gamma-butyrolactone 1007.98
    1-methoxy-2-propanol 872.85
    pyridine 1440.28
    3-pentanone 800.02
    furfural 841.75
    n-dodecane 178.52
    diethylene glycol 626.55
    diisopropyl ether 849.31
    tert-amyl alcohol 1418.53
    acetylacetone 723.38
    n-hexadecane 200.54
    acetophenone 573.23
    methyl propionate 711.36
    isopentyl acetate 1335.28
    trichloroethylene 2229.33
    n-nonanol 778.59
    cyclohexanol 1685.65
    benzyl alcohol 575.76
    2-ethylhexanol 1342.19
    isooctanol 650.68
    dipropyl ether 1693.66
    1,2-dichlorobenzene 970.53
    ethyl lactate 265.99
    propylene carbonate 737.9
    n-methylformamide 291.43
    2-pentanol 1181.89
    n-pentane 936.44
    1-propoxy-2-propanol 1231.85
    1-methoxy-2-propyl acetate 1005.79
    2-(2-methoxypropoxy) propanol 738.86
    mesitylene 547.77
    ε-caprolactone 1416.86
    p-cymene 554.17
    epichlorohydrin 1348.74
    1,1,1-trichloroethane 1942.91
    2-aminoethanol 370.14
    morpholine-4-carbaldehyde 1032.46
    sulfolane 839.22
    2,2,4-trimethylpentane 361.47
    2-methyltetrahydrofuran 2644.5
    n-hexyl acetate 1269.57
    isooctane 275.14
    2-(2-butoxyethoxy)ethanol 1034.49
    sec-butyl acetate 635.22
    tert-butyl acetate 974.94
    decalin 496.61
    glycerin 254.82
    diglyme 1598.02
    acrylic acid 354.04
    isopropyl myristate 510.51
    n-butyric acid 1192.75
    acetyl acetate 743.14
    di(2-ethylhexyl) phthalate 397.08
    ethyl propionate 653.04
    nitromethane 638.76
    1,2-diethoxyethane 1607.86
    benzonitrile 860.93
    trioctyl phosphate 299.97
    1-bromopropane 1617.62
    gamma-valerolactone 1273.68
    n-decanol 552.63
    triethyl phosphate 362.52
    4-methyl-2-pentanol 692.29
    propionitrile 988.23
    vinylene carbonate 666.57
    1,1,2-trichlorotrifluoroethane 788.45
    DMS 585.24
    cumene 451.29
    2-octanol 614.79
    2-hexanone 723.51
    octyl acetate 612.85
    limonene 988.15
    1,2-dimethoxyethane 1338.52
    ethyl orthosilicate 424.81
    tributyl phosphate 372.93
    diacetone alcohol 692.15
    N,N-dimethylaniline 541.04
    acrylonitrile 674.09
    aniline 1041.95
    1,3-propanediol 595.2
    bromobenzene 1347.48
    dibromomethane 2197.77
    1,1,2,2-tetrachloroethane 2007.91
    2-methyl-cyclohexyl acetate 749.65
    tetrabutyl urea 412.84
    diisobutyl methanol 609.14
    2-phenylethanol 803.97
    styrene 716.36
    dioctyl adipate 569.76
    dimethyl sulfate 242.43
    ethyl butyrate 963.88
    methyl lactate 262.06
    butyl lactate 476.14
    diethyl carbonate 562.55
    propanediol butyl ether 629.77
    triethyl orthoformate 722.02
    p-tert-butyltoluene 537.09
    methyl 4-tert-butylbenzoate 599.98
    morpholine 2693.95
    tert-butylamine 1631.55
    n-dodecanol 431.48
    dimethoxymethane 652.75
    ethylene carbonate 662.43
    cyrene 439.15
    2-ethoxyethyl acetate 895.18
    2-ethylhexyl acetate 1196.49
    1,2,4-trichlorobenzene 1072.0
    4-methylpyridine 1597.71
    dibutyl ether 1228.76
    2,6-dimethyl-4-heptanol 609.14
    DEF 844.05
    dimethyl isosorbide 975.96
    tetrachloroethylene 1372.47
    eugenol 479.79
    triacetin 811.0
    span 80 762.36
    1,4-butanediol 229.46
    1,1-dichloroethane 1795.52
    2-methyl-1-pentanol 914.73
    methyl formate 215.99
    2-methyl-1-butanol 1316.75
    n-decane 328.44
    butyronitrile 1283.16
    3,7-dimethyl-1-octanol 813.5
    1-chlorooctane 783.77
    1-chlorotetradecane 312.75
    n-nonane 370.02
    undecane 228.11
    tert-butylcyclohexane 438.86
    cyclooctane 608.39
    cyclopentanol 1047.42
    tetrahydropyran 3498.97
    tert-amyl methyl ether 1382.36
    2,5,8-trioxanonane 1052.53
    1-hexene 1482.24
    2-isopropoxyethanol 605.98
    2,2,2-trifluoroethanol 184.21
    methyl butyrate 722.7

    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