1-Methoxycyclohexene

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  • Identifiers

    CAS number
    931-57-7

    Molecular formula
    C7H12O

    SMILES
    COC1=CCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 69.33%
    Mint 51.05%
    Spicy 50.91%
    Woody 41.47%
    Camphoreous 40.83%
    Tobacco 30.84%
    Earthy 28.83%
    Fresh 27.92%
    Warm 26.56%
    Sweet 26.53%

     

    Flavor
    Fruity 51.71%
    Fruit 23.3%
    Earthy 21.08%
    Musty 20.21%
    Plant 20.05%
    Soil 19.95%
    Beet 19.89%
    Shrimp 19.59%
    Cistus 19.0%
    Thujone 18.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.61 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    140°C

    Flash point

    • 28.27 ˚C est.

  • Synonyms

    • 1-Methoxycyclohexene
    • 931-57-7
    • Cyclohexene, 1-methoxy-
    • 1-methoxycyclohex-1-ene
    • 1-Methoxy-1-cyclohexene
    • Ether, 1-cyclohexen-1-yl methyl
    • Cyclohexanone methyl enol ether
    • 1-methoxy-cyclohexene
    • 1-Cyclohexen-1-yl methyl ether
    • 2,3,4,5-Tetrahydroanisole
    • DTXSID70239269
    • MFCD00060822
    • SCHEMBL46404
    • Discontinued See M262395
    • DTXCID40161760
    • CHEBI:230282
    • AKOS006272959
    • DB-023685
    • NS00122132
    • EN300-93083
    • D87534

  • Applications

    1-Methoxycyclohexene (CAS 931-57-7) is primarily used as a versatile intermediate in organic synthesis, serving as a building block for the preparation of more complex cyclohexene-derived compounds. In the fragrance and flavor sector, it may be evaluated as a fragrance intermediate or odorant precursor for design of aroma materials. In polymer and plastics chemistry, it can be explored as a reactive monomer or comonomer to tailor properties of specialty polymers. In coatings and inks, it is used as a reactive intermediate or formulation component in certain UV-curable or crosslinking systems. In pharmaceutical research, it may function as a synthetic starting material to access cyclic or heterocyclic scaffolds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2196.25
    methanol 2061.07
    isopropanol 2101.39
    water 2.59
    ethyl acetate 2274.85
    n-propanol 2064.6
    acetone 2329.84
    n-butanol 1978.48
    acetonitrile 3466.73
    DMF 1742.38
    toluene 1704.64
    isobutanol 1586.3
    1,4-dioxane 4186.85
    methyl acetate 1988.23
    THF 3557.26
    2-butanone 2148.93
    n-pentanol 1376.55
    sec-butanol 1942.73
    n-hexane 695.27
    ethylene glycol 383.69
    NMP 1733.13
    cyclohexane 1076.16
    DMSO 2341.69
    n-butyl acetate 1531.17
    n-octanol 771.17
    chloroform 8482.85
    n-propyl acetate 1268.58
    acetic acid 2070.74
    dichloromethane 6910.29
    cyclohexanone 2710.35
    propylene glycol 572.0
    isopropyl acetate 1212.6
    DMAc 1192.94
    2-ethoxyethanol 1500.56
    isopentanol 1588.31
    n-heptane 478.58
    ethyl formate 1200.19
    1,2-dichloroethane 3256.2
    n-hexanol 1477.96
    2-methoxyethanol 2004.67
    isobutyl acetate 736.2
    tetrachloromethane 2025.11
    n-pentyl acetate 989.7
    transcutol 4476.2
    n-heptanol 660.0
    ethylbenzene 663.67
    MIBK 991.1
    2-propoxyethanol 1834.15
    tert-butanol 2451.01
    MTBE 2193.68
    2-butoxyethanol 1064.36
    propionic acid 1770.76
    o-xylene 769.55
    formic acid 489.3
    diethyl ether 2814.09
    m-xylene 825.21
    p-xylene 776.73
    chlorobenzene 2122.78
    dimethyl carbonate 437.46
    n-octane 175.16
    formamide 621.87
    cyclopentanone 2422.34
    2-pentanone 1726.83
    anisole 1232.15
    cyclopentyl methyl ether 2098.29
    gamma-butyrolactone 2534.18
    1-methoxy-2-propanol 1565.69
    pyridine 3650.88
    3-pentanone 1287.86
    furfural 2309.74
    n-dodecane 118.96
    diethylene glycol 1040.97
    diisopropyl ether 752.15
    tert-amyl alcohol 1791.98
    acetylacetone 1445.64
    n-hexadecane 133.76
    acetophenone 909.94
    methyl propionate 1285.51
    isopentyl acetate 1106.39
    trichloroethylene 5762.44
    n-nonanol 631.51
    cyclohexanol 1954.46
    benzyl alcohol 952.87
    2-ethylhexanol 816.53
    isooctanol 549.43
    dipropyl ether 1354.03
    1,2-dichlorobenzene 1508.12
    ethyl lactate 470.09
    propylene carbonate 1398.89
    n-methylformamide 1086.39
    2-pentanol 1514.83
    n-pentane 711.79
    1-propoxy-2-propanol 1330.84
    1-methoxy-2-propyl acetate 956.41
    2-(2-methoxypropoxy) propanol 803.09
    mesitylene 507.59
    ε-caprolactone 2156.11
    p-cymene 414.82
    epichlorohydrin 3228.7
    1,1,1-trichloroethane 3956.41
    2-aminoethanol 857.32
    morpholine-4-carbaldehyde 2112.66
    sulfolane 2431.97
    2,2,4-trimethylpentane 253.03
    2-methyltetrahydrofuran 3490.59
    n-hexyl acetate 1329.21
    isooctane 210.84
    2-(2-butoxyethoxy)ethanol 1239.87
    sec-butyl acetate 810.96
    tert-butyl acetate 1160.22
    decalin 322.79
    glycerin 663.66
    diglyme 2330.14
    acrylic acid 1411.03
    isopropyl myristate 460.78
    n-butyric acid 2297.03
    acetyl acetate 1200.5
    di(2-ethylhexyl) phthalate 360.13
    ethyl propionate 998.75
    nitromethane 2720.15
    1,2-diethoxyethane 1823.89
    benzonitrile 1691.21
    trioctyl phosphate 262.76
    1-bromopropane 2970.81
    gamma-valerolactone 2577.29
    n-decanol 441.1
    triethyl phosphate 360.28
    4-methyl-2-pentanol 702.9
    propionitrile 2507.34
    vinylene carbonate 1344.78
    1,1,2-trichlorotrifluoroethane 1967.66
    DMS 700.36
    cumene 419.2
    2-octanol 515.33
    2-hexanone 1257.29
    octyl acetate 585.45
    limonene 668.41
    1,2-dimethoxyethane 2313.03
    ethyl orthosilicate 380.39
    tributyl phosphate 343.32
    diacetone alcohol 1056.4
    N,N-dimethylaniline 672.11
    acrylonitrile 2565.07
    aniline 1781.39
    1,3-propanediol 1155.58
    bromobenzene 2401.03
    dibromomethane 4870.88
    1,1,2,2-tetrachloroethane 4271.33
    2-methyl-cyclohexyl acetate 608.05
    tetrabutyl urea 402.32
    diisobutyl methanol 467.92
    2-phenylethanol 832.09
    styrene 1024.93
    dioctyl adipate 566.11
    dimethyl sulfate 587.07
    ethyl butyrate 1067.56
    methyl lactate 512.21
    butyl lactate 588.88
    diethyl carbonate 607.6
    propanediol butyl ether 880.03
    triethyl orthoformate 647.42
    p-tert-butyltoluene 396.1
    methyl 4-tert-butylbenzoate 674.63
    morpholine 4059.19
    tert-butylamine 1815.12
    n-dodecanol 336.64
    dimethoxymethane 1236.07
    ethylene carbonate 1206.54
    cyrene 595.81
    2-ethoxyethyl acetate 1066.41
    2-ethylhexyl acetate 855.13
    1,2,4-trichlorobenzene 1750.51
    4-methylpyridine 3072.88
    dibutyl ether 1186.83
    2,6-dimethyl-4-heptanol 467.92
    DEF 1707.71
    dimethyl isosorbide 1071.17
    tetrachloroethylene 3058.51
    eugenol 677.88
    triacetin 921.06
    span 80 822.34
    1,4-butanediol 523.78
    1,1-dichloroethane 4137.04
    2-methyl-1-pentanol 1126.47
    methyl formate 767.08
    2-methyl-1-butanol 1597.98
    n-decane 212.36
    butyronitrile 2481.8
    3,7-dimethyl-1-octanol 700.31
    1-chlorooctane 690.84
    1-chlorotetradecane 246.93
    n-nonane 241.79
    undecane 148.91
    tert-butylcyclohexane 306.11
    cyclooctane 340.63
    cyclopentanol 1826.43
    tetrahydropyran 4192.1
    tert-amyl methyl ether 1350.35
    2,5,8-trioxanonane 1312.69
    1-hexene 1512.94
    2-isopropoxyethanol 1090.94
    2,2,2-trifluoroethanol 559.9
    methyl butyrate 1328.27

    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