Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-

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  • Identifiers

    CAS number
    26946-68-9

    Molecular formula
    C11H20O

    SMILES
    CC(=C)C1CCC(CC1)(C)OC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 76.56%
    Citrus 70.7%
    Woody 65.9%
    Fresh 63.16%
    Sweet 61.63%
    Terpenic 55.55%
    Spicy 55.39%
    Lemon 53.47%
    Mint 51.64%
    Camphoreous 48.8%

     

    Flavor
    Woody 47.28%
    Green 40.18%
    Herbal 35.39%
    Wood 29.47%
    Earthy 28.3%
    Herb 27.12%
    Citrus 25.86%
    Minty 25.28%
    Spice 24.77%
    Fresh 24.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.16 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 62.43 ˚C est.

  • Synonyms

    • Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-
    • beta-Terpineol, methyl ether
    • EINECS 248-128-8
    • DTXSID4067270
    • RefChem:580440
    • DTXCID3037599
    • 26946-68-9
    • 1-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
    • 1-methoxy-1-methyl-4-(prop-1-en-2-yl)cyclohexane
    • 1-Methoxy-1-methyl-4-(1-methylvinyl)cyclohexane
    • 4-isopropenyl-1-methoxy-1-methylcyclohexane
    • SCHEMBL15755001
    • SCHEMBL25207928
    • OLQOOKYEEAQGPU-UHFFFAOYSA-N
    • AKOS015907060
    • NS00028227
    • 26946-68-9

  • Applications

    Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)- (CAS 26946-68-9) is used in industry primarily as an intermediate in fragrance chemistry and as a fragrance component or fixative; it can function as a non-polar solvent or processing aid in cosmetics/personal care formulations, household products, and coatings/inks; and it may serve as a chemical intermediate or solvent in industrial manufacturing and in polymers/plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3956.07
    methanol 2890.23
    isopropanol 3416.35
    water 3.31
    ethyl acetate 4956.45
    n-propanol 3149.22
    acetone 2704.93
    n-butanol 3556.9
    acetonitrile 2744.23
    DMF 1470.08
    toluene 2560.62
    isobutanol 2103.49
    1,4-dioxane 8324.51
    methyl acetate 2659.14
    THF 7350.99
    2-butanone 2370.04
    n-pentanol 1644.59
    sec-butanol 2554.36
    n-hexane 664.97
    ethylene glycol 320.87
    NMP 1213.97
    cyclohexane 1779.68
    DMSO 1187.24
    n-butyl acetate 3217.37
    n-octanol 791.13
    chloroform 9827.33
    n-propyl acetate 1633.67
    acetic acid 2284.63
    dichloromethane 7306.8
    cyclohexanone 3069.79
    propylene glycol 587.44
    isopropyl acetate 3086.21
    DMAc 1372.2
    2-ethoxyethanol 2008.72
    isopentanol 2799.3
    n-heptane 651.64
    ethyl formate 1953.94
    1,2-dichloroethane 3957.73
    n-hexanol 3064.8
    2-methoxyethanol 3359.39
    isobutyl acetate 1071.39
    tetrachloromethane 2105.78
    n-pentyl acetate 1365.31
    transcutol 7344.31
    n-heptanol 956.21
    ethylbenzene 861.51
    MIBK 1453.83
    2-propoxyethanol 3595.95
    tert-butanol 3984.28
    MTBE 4725.57
    2-butoxyethanol 1492.55
    propionic acid 1559.73
    o-xylene 1089.38
    formic acid 602.65
    diethyl ether 5995.67
    m-xylene 1224.47
    p-xylene 1060.93
    chlorobenzene 2440.22
    dimethyl carbonate 637.67
    n-octane 162.34
    formamide 939.67
    cyclopentanone 2231.63
    2-pentanone 2353.8
    anisole 1721.17
    cyclopentyl methyl ether 3353.94
    gamma-butyrolactone 2582.25
    1-methoxy-2-propanol 2505.23
    pyridine 4251.41
    3-pentanone 1750.62
    furfural 2414.93
    n-dodecane 100.41
    diethylene glycol 1606.0
    diisopropyl ether 1701.53
    tert-amyl alcohol 2628.7
    acetylacetone 2298.39
    n-hexadecane 116.87
    acetophenone 1044.99
    methyl propionate 2086.06
    isopentyl acetate 2639.3
    trichloroethylene 6600.22
    n-nonanol 751.51
    cyclohexanol 2856.53
    benzyl alcohol 1079.53
    2-ethylhexanol 1546.95
    isooctanol 709.57
    dipropyl ether 2808.38
    1,2-dichlorobenzene 1827.64
    ethyl lactate 478.84
    propylene carbonate 1815.53
    n-methylformamide 1118.29
    2-pentanol 2270.96
    n-pentane 930.95
    1-propoxy-2-propanol 2430.95
    1-methoxy-2-propyl acetate 2735.8
    2-(2-methoxypropoxy) propanol 1228.78
    mesitylene 714.72
    ε-caprolactone 3146.5
    p-cymene 582.5
    epichlorohydrin 4082.72
    1,1,1-trichloroethane 4711.39
    2-aminoethanol 1038.31
    morpholine-4-carbaldehyde 2574.53
    sulfolane 1569.22
    2,2,4-trimethylpentane 335.09
    2-methyltetrahydrofuran 5983.01
    n-hexyl acetate 1789.4
    isooctane 263.59
    2-(2-butoxyethoxy)ethanol 1989.94
    sec-butyl acetate 1399.57
    tert-butyl acetate 2570.68
    decalin 426.18
    glycerin 641.21
    diglyme 3810.37
    acrylic acid 1012.39
    isopropyl myristate 652.28
    n-butyric acid 3427.46
    acetyl acetate 2636.85
    di(2-ethylhexyl) phthalate 486.4
    ethyl propionate 1553.3
    nitromethane 2457.16
    1,2-diethoxyethane 4200.1
    benzonitrile 1639.02
    trioctyl phosphate 327.02
    1-bromopropane 3363.52
    gamma-valerolactone 3561.85
    n-decanol 525.95
    triethyl phosphate 658.32
    4-methyl-2-pentanol 1188.73
    propionitrile 2466.75
    vinylene carbonate 1657.32
    1,1,2-trichlorotrifluoroethane 2050.14
    DMS 1075.26
    cumene 515.52
    2-octanol 565.99
    2-hexanone 1290.13
    octyl acetate 764.24
    limonene 1018.7
    1,2-dimethoxyethane 3673.33
    ethyl orthosilicate 768.42
    tributyl phosphate 487.76
    diacetone alcohol 1659.82
    N,N-dimethylaniline 831.42
    acrylonitrile 1897.87
    aniline 2457.54
    1,3-propanediol 1901.53
    bromobenzene 2726.96
    dibromomethane 5132.58
    1,1,2,2-tetrachloroethane 5122.13
    2-methyl-cyclohexyl acetate 1214.02
    tetrabutyl urea 505.31
    diisobutyl methanol 774.92
    2-phenylethanol 1451.97
    styrene 1191.16
    dioctyl adipate 784.88
    dimethyl sulfate 565.13
    ethyl butyrate 2081.66
    methyl lactate 595.98
    butyl lactate 730.23
    diethyl carbonate 1272.92
    propanediol butyl ether 906.85
    triethyl orthoformate 1584.6
    p-tert-butyltoluene 617.39
    methyl 4-tert-butylbenzoate 864.56
    morpholine 8464.46
    tert-butylamine 3172.65
    n-dodecanol 383.12
    dimethoxymethane 2109.5
    ethylene carbonate 1738.17
    cyrene 613.83
    2-ethoxyethyl acetate 1852.85
    2-ethylhexyl acetate 2053.35
    1,2,4-trichlorobenzene 2061.39
    4-methylpyridine 3693.05
    dibutyl ether 1696.4
    2,6-dimethyl-4-heptanol 774.92
    DEF 2226.69
    dimethyl isosorbide 1769.43
    tetrachloroethylene 3662.05
    eugenol 718.49
    triacetin 1263.34
    span 80 1032.12
    1,4-butanediol 468.38
    1,1-dichloroethane 4922.64
    2-methyl-1-pentanol 1375.9
    methyl formate 766.12
    2-methyl-1-butanol 2269.12
    n-decane 200.46
    butyronitrile 3195.11
    3,7-dimethyl-1-octanol 931.98
    1-chlorooctane 707.25
    1-chlorotetradecane 249.74
    n-nonane 197.43
    undecane 135.57
    tert-butylcyclohexane 366.28
    cyclooctane 512.25
    cyclopentanol 1921.08
    tetrahydropyran 8282.16
    tert-amyl methyl ether 2428.55
    2,5,8-trioxanonane 2187.56
    1-hexene 1626.43
    2-isopropoxyethanol 1338.45
    2,2,2-trifluoroethanol 586.11
    methyl butyrate 1735.54

    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