Cyclohexanone diethyl ketal

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  • Identifiers

    CAS number
    1670-47-9

    Molecular formula
    C10H20O2

    SMILES
    CCOC1(CCCCC1)OCC

  • Odor profile

    Fragrance
    Fruity 81.68%
    Ethereal 63.4%
    Woody 55.14%
    Fermented 44.09%
    Mint 36.4%
    Alcoholic 36.35%
    Herbal 34.8%
    Camphoreous 34.61%
    Solvent 31.49%
    Fresh 30.24%

     

    Flavor
    Green 50.37%
    Sweet 46.48%
    Fruity 41.97%
    Fruit 41.96%
    Earthy 40.64%
    Vegetable 36.03%
    Pineapple 34.46%
    Musty 26.1%
    Tropical 23.01%
    Herbal 22.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.29 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    197°C

    Flash point

    • 69.73 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1,1-Diethoxycyclohexane
    • 1670-47-9
    • Cyclohexanone diethyl ketal
    • CYCLOHEXANONE DIETHYL ACETAL
    • Cyclohexane, 1,1-diethoxy-
    • 84QSY8U161
    • EINECS 216-798-0
    • Cyclohexanone, diethyl acetal
    • DTXSID6061868
    • FEMA NO. 4516
    • Rhumacetal
    • UNII-84QSY8U161
    • diethoxycyclohexane
    • MFCD00037723
    • cyclohexanone diethylketal
    • 1,1-diethoxy cyclohexane
    • 1,1-diethoxy-cyclohexane
    • SCHEMBL199605
    • CHEMBL5285731
    • DTXCID7035359
    • Cyclohexanone diethyl ketal, 97%
    • AKOS000278169
    • BS-52913
    • CS-0358000
    • NS00012155
    • E75792
    • Q27269542
    • 216-798-0

  • Applications

    Cyclohexanone diethyl ketal (CAS 1670-47-9) is primarily used as an organic synthesis intermediate and as a ketal protecting group for carbonyls in multi-step routes. It is commonly employed as a protecting group for cyclohexanone in complex syntheses, and may also serve as a solvent or co-solvent in specialized chemical processes. It acts as a building block for cyclic acetals and related derivatives used in polymer and plastics chemistry. In industrial formulations, it can function as a solvent or processing aid in coatings and inks or in other processing steps. Additionally, it is often evaluated as an intermediate for the synthesis of pharmaceutical and agrochemical compounds, enabling the construction of useful intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1661.25
    methanol 2101.84
    isopropanol 1621.54
    water 4.0
    ethyl acetate 2455.2
    n-propanol 1817.9
    acetone 2316.68
    n-butanol 1706.15
    acetonitrile 2487.51
    DMF 2433.88
    toluene 2331.77
    isobutanol 1705.58
    1,4-dioxane 3351.04
    methyl acetate 2006.4
    THF 4286.02
    2-butanone 2119.69
    n-pentanol 1381.95
    sec-butanol 1935.87
    n-hexane 1538.98
    ethylene glycol 380.11
    NMP 3202.74
    cyclohexane 2756.7
    DMSO 2264.71
    n-butyl acetate 2548.82
    n-octanol 1404.82
    chloroform 13421.92
    n-propyl acetate 1904.15
    acetic acid 2212.62
    dichloromethane 11861.67
    cyclohexanone 4833.12
    propylene glycol 527.05
    isopropyl acetate 1631.89
    DMAc 2388.6
    2-ethoxyethanol 1320.99
    isopentanol 1421.58
    n-heptane 1376.58
    ethyl formate 1797.3
    1,2-dichloroethane 5095.11
    n-hexanol 1937.01
    2-methoxyethanol 1748.45
    isobutyl acetate 1316.7
    tetrachloromethane 2927.56
    n-pentyl acetate 1912.2
    transcutol 2549.81
    n-heptanol 1102.1
    ethylbenzene 1465.93
    MIBK 1312.74
    2-propoxyethanol 1720.55
    tert-butanol 1961.1
    MTBE 2051.58
    2-butoxyethanol 1182.68
    propionic acid 1930.94
    o-xylene 1510.71
    formic acid 505.5
    diethyl ether 2444.39
    m-xylene 1408.87
    p-xylene 2030.62
    chlorobenzene 3666.34
    dimethyl carbonate 879.89
    n-octane 526.14
    formamide 647.45
    cyclopentanone 3839.08
    2-pentanone 1941.29
    anisole 1862.59
    cyclopentyl methyl ether 2904.25
    gamma-butyrolactone 4334.73
    1-methoxy-2-propanol 1464.04
    pyridine 4029.65
    3-pentanone 1825.59
    furfural 3564.34
    n-dodecane 361.85
    diethylene glycol 873.05
    diisopropyl ether 956.39
    tert-amyl alcohol 1974.62
    acetylacetone 2004.24
    n-hexadecane 410.19
    acetophenone 1757.38
    methyl propionate 1850.31
    isopentyl acetate 1993.62
    trichloroethylene 8910.94
    n-nonanol 1156.88
    cyclohexanol 2917.8
    benzyl alcohol 1433.52
    2-ethylhexanol 1539.62
    isooctanol 919.49
    dipropyl ether 2252.86
    1,2-dichlorobenzene 3466.03
    ethyl lactate 793.68
    propylene carbonate 2957.65
    n-methylformamide 1444.1
    2-pentanol 1379.79
    n-pentane 1187.42
    1-propoxy-2-propanol 1460.3
    1-methoxy-2-propyl acetate 1456.02
    2-(2-methoxypropoxy) propanol 1021.3
    mesitylene 994.33
    ε-caprolactone 4106.41
    p-cymene 1077.14
    epichlorohydrin 4355.83
    1,1,1-trichloroethane 5836.03
    2-aminoethanol 747.98
    morpholine-4-carbaldehyde 2731.73
    sulfolane 4658.13
    2,2,4-trimethylpentane 567.62
    2-methyltetrahydrofuran 3930.8
    n-hexyl acetate 2602.24
    isooctane 356.21
    2-(2-butoxyethoxy)ethanol 1227.25
    sec-butyl acetate 1246.21
    tert-butyl acetate 1487.78
    decalin 918.58
    glycerin 615.56
    diglyme 2407.66
    acrylic acid 1539.34
    isopropyl myristate 1116.71
    n-butyric acid 2465.88
    acetyl acetate 1786.15
    di(2-ethylhexyl) phthalate 808.09
    ethyl propionate 1757.21
    nitromethane 2711.93
    1,2-diethoxyethane 1698.95
    benzonitrile 2678.67
    trioctyl phosphate 698.13
    1-bromopropane 4097.46
    gamma-valerolactone 3944.53
    n-decanol 828.0
    triethyl phosphate 922.71
    4-methyl-2-pentanol 794.52
    propionitrile 2626.19
    vinylene carbonate 2922.51
    1,1,2-trichlorotrifluoroethane 2865.01
    DMS 1560.31
    cumene 991.15
    2-octanol 1037.4
    2-hexanone 1718.59
    octyl acetate 1324.64
    limonene 1731.15
    1,2-dimethoxyethane 2862.53
    ethyl orthosilicate 881.05
    tributyl phosphate 909.43
    diacetone alcohol 1148.08
    N,N-dimethylaniline 1285.71
    acrylonitrile 2520.23
    aniline 1933.07
    1,3-propanediol 970.0
    bromobenzene 4531.05
    dibromomethane 8508.62
    1,1,2,2-tetrachloroethane 7471.53
    2-methyl-cyclohexyl acetate 1490.71
    tetrabutyl urea 1089.53
    diisobutyl methanol 844.91
    2-phenylethanol 1328.84
    styrene 1886.25
    dioctyl adipate 1413.37
    dimethyl sulfate 1311.25
    ethyl butyrate 2025.65
    methyl lactate 846.2
    butyl lactate 1171.03
    diethyl carbonate 1408.18
    propanediol butyl ether 1007.88
    triethyl orthoformate 1393.08
    p-tert-butyltoluene 974.53
    methyl 4-tert-butylbenzoate 1434.3
    morpholine 3282.27
    tert-butylamine 1704.7
    n-dodecanol 668.76
    dimethoxymethane 1850.38
    ethylene carbonate 2648.69
    cyrene 950.22
    2-ethoxyethyl acetate 1561.66
    2-ethylhexyl acetate 1831.2
    1,2,4-trichlorobenzene 3619.59
    4-methylpyridine 3958.06
    dibutyl ether 2191.57
    2,6-dimethyl-4-heptanol 844.91
    DEF 2394.11
    dimethyl isosorbide 1736.32
    tetrachloroethylene 5464.05
    eugenol 1116.36
    triacetin 1827.99
    span 80 1197.23
    1,4-butanediol 552.0
    1,1-dichloroethane 5472.95
    2-methyl-1-pentanol 1282.7
    methyl formate 1307.09
    2-methyl-1-butanol 1622.69
    n-decane 628.08
    butyronitrile 2744.88
    3,7-dimethyl-1-octanol 1293.05
    1-chlorooctane 1706.52
    1-chlorotetradecane 665.06
    n-nonane 720.29
    undecane 446.09
    tert-butylcyclohexane 802.42
    cyclooctane 997.81
    cyclopentanol 2745.34
    tetrahydropyran 4190.06
    tert-amyl methyl ether 1715.1
    2,5,8-trioxanonane 1553.57
    1-hexene 2448.98
    2-isopropoxyethanol 1012.94
    2,2,2-trifluoroethanol 741.11
    methyl butyrate 2441.23

    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