Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    16556-48-2

    Molecular formula
    C13H22O2

    SMILES
    CC(=O)C1C(CC(=CC1(C)C)OC)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 78.41%
    Herbal 66.25%
    Camphoreous 61.31%
    Mint 52.89%
    Pine 46.53%
    Spicy 45.95%
    Fruity 44.59%
    Tobacco 42.77%
    Sweet 41.66%
    Earthy 39.6%

     

    Flavor
    Woody 60.56%
    Sweet 59.85%
    Herbal 50.0%
    Camphor 45.06%
    Pine 37.01%
    Citrus 35.09%
    Green 34.75%
    Tobacco 32.4%
    Fruity 31.22%
    Lavender 30.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.54 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 109.94 ˚C est.

  • Synonyms

    • 16556-48-2
    • 1-(4-Methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one
    • Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
    • EINECS 240-621-6
    • 4-Acetyl-1-methoxy-3,3,5,5-tetramethyl-1-cyclohexene
    • DTXSID00864689
    • RefChem:592498
    • DTXCID00813177
    • 240-621-6
    • 1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone
    • ZGMRSDALCWKJIM-UHFFFAOYSA-N
    • SCHEMBL11797850
    • 1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethan-1-one
    • DB-276120
    • NS00012840
    • 16556-48-2

  • Applications

    Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)- is used principally as a fragrance ingredient and potential odor fixative in perfumery. It may also find use in cosmetics and personal care products to impart or stabilize aroma, and in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it can serve as an intermediate or solvent in organic synthesis and may be incorporated into coatings and inks to impart scent or assist processing. Its use is determined by formulation requirements and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4858.4
    methanol 5254.87
    isopropanol 4165.63
    water 82.05
    ethyl acetate 7103.06
    n-propanol 5139.17
    acetone 7386.36
    n-butanol 4466.35
    acetonitrile 7992.05
    DMF 7792.85
    toluene 8341.75
    isobutanol 4325.81
    1,4-dioxane 7530.23
    methyl acetate 7593.67
    THF 12274.46
    2-butanone 6998.81
    n-pentanol 2426.34
    sec-butanol 4702.96
    n-hexane 1727.73
    ethylene glycol 1249.61
    NMP 8468.57
    cyclohexane 4194.81
    DMSO 3871.81
    n-butyl acetate 2657.91
    n-octanol 1511.45
    chloroform 12690.77
    n-propyl acetate 2424.58
    acetic acid 7214.55
    dichloromethane 9793.33
    cyclohexanone 10886.11
    propylene glycol 1664.22
    isopropyl acetate 4203.51
    DMAc 5817.67
    2-ethoxyethanol 2631.04
    isopentanol 3620.25
    n-heptane 809.6
    ethyl formate 3813.48
    1,2-dichloroethane 7589.35
    n-hexanol 3821.17
    2-methoxyethanol 5495.69
    isobutyl acetate 1542.09
    tetrachloromethane 3918.62
    n-pentyl acetate 1813.67
    transcutol 3491.76
    n-heptanol 1346.12
    ethylbenzene 2297.61
    MIBK 3132.29
    2-propoxyethanol 4151.05
    tert-butanol 4425.05
    MTBE 5794.13
    2-butoxyethanol 1609.93
    propionic acid 5958.28
    o-xylene 3493.74
    formic acid 3828.04
    diethyl ether 7280.19
    m-xylene 4878.52
    p-xylene 2382.15
    chlorobenzene 5631.68
    dimethyl carbonate 2834.7
    n-octane 280.63
    formamide 3732.18
    cyclopentanone 10152.7
    2-pentanone 6385.41
    anisole 2507.0
    cyclopentyl methyl ether 11571.05
    gamma-butyrolactone 10330.13
    1-methoxy-2-propanol 4422.61
    pyridine 8340.83
    3-pentanone 5719.41
    furfural 6311.44
    n-dodecane 127.19
    diethylene glycol 2206.87
    diisopropyl ether 2545.14
    tert-amyl alcohol 4422.77
    acetylacetone 4841.94
    n-hexadecane 153.8
    acetophenone 1938.02
    methyl propionate 6319.98
    isopentyl acetate 2256.44
    trichloroethylene 13421.42
    n-nonanol 1094.41
    cyclohexanol 7815.8
    benzyl alcohol 1907.03
    2-ethylhexanol 1866.75
    isooctanol 973.6
    dipropyl ether 1967.92
    1,2-dichlorobenzene 3418.25
    ethyl lactate 891.59
    propylene carbonate 4604.12
    n-methylformamide 6253.79
    2-pentanol 3949.33
    n-pentane 1924.86
    1-propoxy-2-propanol 2228.03
    1-methoxy-2-propyl acetate 2533.27
    2-(2-methoxypropoxy) propanol 830.48
    mesitylene 2364.92
    ε-caprolactone 7720.88
    p-cymene 896.8
    epichlorohydrin 9871.4
    1,1,1-trichloroethane 9471.4
    2-aminoethanol 2305.24
    morpholine-4-carbaldehyde 5697.96
    sulfolane 8205.98
    2,2,4-trimethylpentane 845.32
    2-methyltetrahydrofuran 12398.78
    n-hexyl acetate 3258.83
    isooctane 564.57
    2-(2-butoxyethoxy)ethanol 1325.47
    sec-butyl acetate 1876.49
    tert-butyl acetate 3774.18
    decalin 1033.27
    glycerin 2047.53
    diglyme 2667.85
    acrylic acid 5058.86
    isopropyl myristate 644.32
    n-butyric acid 6158.32
    acetyl acetate 4175.06
    di(2-ethylhexyl) phthalate 512.8
    ethyl propionate 2714.9
    nitromethane 10811.84
    1,2-diethoxyethane 1606.1
    benzonitrile 2876.5
    trioctyl phosphate 451.35
    1-bromopropane 6152.6
    gamma-valerolactone 9496.93
    n-decanol 650.7
    triethyl phosphate 621.6
    4-methyl-2-pentanol 1829.69
    propionitrile 5848.88
    vinylene carbonate 4342.31
    1,1,2-trichlorotrifluoroethane 5371.57
    DMS 2326.14
    cumene 1166.65
    2-octanol 1068.3
    2-hexanone 2544.16
    octyl acetate 977.57
    limonene 1666.92
    1,2-dimethoxyethane 3413.35
    ethyl orthosilicate 665.11
    tributyl phosphate 570.59
    diacetone alcohol 3034.32
    N,N-dimethylaniline 1483.81
    acrylonitrile 6411.16
    aniline 5584.79
    1,3-propanediol 3146.43
    bromobenzene 5790.98
    dibromomethane 7550.2
    1,1,2,2-tetrachloroethane 9317.15
    2-methyl-cyclohexyl acetate 1244.07
    tetrabutyl urea 654.24
    diisobutyl methanol 693.86
    2-phenylethanol 2051.94
    styrene 2594.27
    dioctyl adipate 676.63
    dimethyl sulfate 3547.66
    ethyl butyrate 1584.64
    methyl lactate 2027.7
    butyl lactate 1032.35
    diethyl carbonate 873.67
    propanediol butyl ether 1292.5
    triethyl orthoformate 1012.29
    p-tert-butyltoluene 907.14
    methyl 4-tert-butylbenzoate 1322.33
    morpholine 9223.06
    tert-butylamine 3145.57
    n-dodecanol 417.23
    dimethoxymethane 5406.96
    ethylene carbonate 3991.28
    cyrene 1029.76
    2-ethoxyethyl acetate 2020.43
    2-ethylhexyl acetate 2005.67
    1,2,4-trichlorobenzene 3816.63
    4-methylpyridine 9068.87
    dibutyl ether 1351.52
    2,6-dimethyl-4-heptanol 693.86
    DEF 5953.02
    dimethyl isosorbide 1508.31
    tetrachloroethylene 7033.68
    eugenol 958.06
    triacetin 1591.5
    span 80 925.33
    1,4-butanediol 1045.0
    1,1-dichloroethane 9132.81
    2-methyl-1-pentanol 1982.51
    methyl formate 5413.62
    2-methyl-1-butanol 4345.76
    n-decane 322.36
    butyronitrile 4995.42
    3,7-dimethyl-1-octanol 1017.85
    1-chlorooctane 1291.04
    1-chlorotetradecane 311.18
    n-nonane 394.26
    undecane 188.99
    tert-butylcyclohexane 824.63
    cyclooctane 1574.19
    cyclopentanol 7072.07
    tetrahydropyran 12626.91
    tert-amyl methyl ether 5038.34
    2,5,8-trioxanonane 1180.87
    1-hexene 3358.27
    2-isopropoxyethanol 1710.83
    2,2,2-trifluoroethanol 3478.78
    methyl butyrate 3027.89

    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