Acetophenone diethyl ketal

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  • Identifiers

    CAS number
    4316-37-4

    Molecular formula
    C12H18O2

    SMILES
    CCOC(C)(C1=CC=CC=C1)OCC

  • Odor profile

    Fragrance
    Fruity 86.31%
    Green 83.29%
    Floral 78.19%
    Sweet 51.19%
    Fresh 48.01%
    Spicy 42.48%
    Herbal 40.83%
    Rose 34.74%
    Jasmin 34.66%
    Hyacinth 34.44%

     

    Flavor
    Fruity 74.44%
    Green 71.08%
    Floral 49.22%
    Sweet 49.11%
    Earthy 46.29%
    Fruit 34.89%
    Rose 32.77%
    Pineapple 30.92%
    Wine 28.93%
    Tropical 27.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.24 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

    Flash point

    • 84.77 ˚C est.

  • Synonyms

    • Acetophenone diethyl ketal
    • 4316-37-4
    • 1,1-diethoxyethylbenzene
    • Acetophenone diethyl acetal
    • NSC2202
    • SCHEMBL1802466
    • DTXSID40195747
    • ACETOPHENONE, DIETHYL ACETAL
    • NSC 2202
    • NSC-2202
    • Q63392220

  • Applications

    Acetophenone diethyl ketal, CAS 4316-37-4, is primarily used as a chemical synthesis intermediate and as a ketal protecting group for the carbonyl of acetophenone, enabling multi-step transformations by masking the ketone functionality and allowing later deprotection. It may also serve as a fragrance-related intermediate or flavor precursor, given its relation to acetophenone chemistry in aroma formulations. In industrial formulations, it can function as a specialty solvent or co-solvent in coatings, inks, and plastics resins, helping to dissolve resin components and facilitate processing. It is commonly evaluated as an intermediate in pharmaceutical synthesis and may be considered for selective chemical routes in drug development, subject to regulatory constraints. Additionally, it may appear as a processing aid or reactive intermediate in specialty polymer systems under appropriate safety and environmental restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1135.63
    methanol 1348.33
    isopropanol 953.01
    water 4.9
    ethyl acetate 1532.38
    n-propanol 1199.01
    acetone 1496.89
    n-butanol 1126.26
    acetonitrile 1635.38
    DMF 1660.02
    toluene 1287.08
    isobutanol 1015.46
    1,4-dioxane 2543.8
    methyl acetate 1363.48
    THF 2395.14
    2-butanone 1273.43
    n-pentanol 956.73
    sec-butanol 1078.49
    n-hexane 1066.63
    ethylene glycol 270.86
    NMP 1947.33
    cyclohexane 1789.25
    DMSO 1527.9
    n-butyl acetate 1368.29
    n-octanol 794.09
    chloroform 8009.8
    n-propyl acetate 1131.66
    acetic acid 1195.82
    dichloromethane 7920.87
    cyclohexanone 2543.2
    propylene glycol 297.14
    isopropyl acetate 891.49
    DMAc 1658.91
    2-ethoxyethanol 885.79
    isopentanol 862.81
    n-heptane 696.57
    ethyl formate 1149.33
    1,2-dichloroethane 3731.21
    n-hexanol 1123.13
    2-methoxyethanol 1166.18
    isobutyl acetate 762.47
    tetrachloromethane 1730.04
    n-pentyl acetate 959.31
    transcutol 1431.45
    n-heptanol 594.5
    ethylbenzene 864.76
    MIBK 676.2
    2-propoxyethanol 1015.07
    tert-butanol 1100.87
    MTBE 1248.21
    2-butoxyethanol 622.13
    propionic acid 997.17
    o-xylene 814.24
    formic acid 306.29
    diethyl ether 1957.65
    m-xylene 752.3
    p-xylene 1145.05
    chlorobenzene 1935.93
    dimethyl carbonate 690.41
    n-octane 315.37
    formamide 455.05
    cyclopentanone 2073.54
    2-pentanone 1167.57
    anisole 1144.63
    cyclopentyl methyl ether 1700.16
    gamma-butyrolactone 2433.93
    1-methoxy-2-propanol 840.89
    pyridine 2190.76
    3-pentanone 1186.56
    furfural 1877.62
    n-dodecane 200.82
    diethylene glycol 600.67
    diisopropyl ether 574.79
    tert-amyl alcohol 1070.62
    acetylacetone 1174.95
    n-hexadecane 228.39
    acetophenone 1001.12
    methyl propionate 1202.78
    isopentyl acetate 1032.84
    trichloroethylene 5540.27
    n-nonanol 662.37
    cyclohexanol 1666.84
    benzyl alcohol 817.68
    2-ethylhexanol 795.05
    isooctanol 487.91
    dipropyl ether 1257.19
    1,2-dichlorobenzene 1811.7
    ethyl lactate 464.75
    propylene carbonate 1648.93
    n-methylformamide 894.89
    2-pentanol 805.1
    n-pentane 773.47
    1-propoxy-2-propanol 717.35
    1-methoxy-2-propyl acetate 832.88
    2-(2-methoxypropoxy) propanol 558.14
    mesitylene 531.85
    ε-caprolactone 2086.25
    p-cymene 540.96
    epichlorohydrin 2576.4
    1,1,1-trichloroethane 3382.55
    2-aminoethanol 508.71
    morpholine-4-carbaldehyde 1589.42
    sulfolane 2629.06
    2,2,4-trimethylpentane 302.27
    2-methyltetrahydrofuran 2205.78
    n-hexyl acetate 1385.87
    isooctane 181.03
    2-(2-butoxyethoxy)ethanol 685.3
    sec-butyl acetate 721.5
    tert-butyl acetate 816.82
    decalin 561.46
    glycerin 385.42
    diglyme 1443.45
    acrylic acid 823.65
    isopropyl myristate 552.97
    n-butyric acid 1340.58
    acetyl acetate 1083.02
    di(2-ethylhexyl) phthalate 416.41
    ethyl propionate 1089.78
    nitromethane 1575.79
    1,2-diethoxyethane 1132.92
    benzonitrile 1349.61
    trioctyl phosphate 359.75
    1-bromopropane 2658.31
    gamma-valerolactone 2057.03
    n-decanol 474.34
    triethyl phosphate 551.55
    4-methyl-2-pentanol 422.4
    propionitrile 1549.07
    vinylene carbonate 1727.39
    1,1,2-trichlorotrifluoroethane 1498.99
    DMS 935.66
    cumene 585.05
    2-octanol 554.24
    2-hexanone 995.48
    octyl acetate 696.96
    limonene 825.19
    1,2-dimethoxyethane 1859.18
    ethyl orthosilicate 515.0
    tributyl phosphate 450.32
    diacetone alcohol 629.83
    N,N-dimethylaniline 829.79
    acrylonitrile 1495.49
    aniline 1047.85
    1,3-propanediol 643.56
    bromobenzene 2405.39
    dibromomethane 5506.73
    1,1,2,2-tetrachloroethane 4604.59
    2-methyl-cyclohexyl acetate 806.26
    tetrabutyl urea 574.0
    diisobutyl methanol 392.59
    2-phenylethanol 733.36
    styrene 1148.58
    dioctyl adipate 712.81
    dimethyl sulfate 899.81
    ethyl butyrate 1135.82
    methyl lactate 479.35
    butyl lactate 573.88
    diethyl carbonate 855.09
    propanediol butyl ether 533.5
    triethyl orthoformate 757.49
    p-tert-butyltoluene 512.57
    methyl 4-tert-butylbenzoate 795.52
    morpholine 2184.55
    tert-butylamine 1022.44
    n-dodecanol 368.38
    dimethoxymethane 1383.32
    ethylene carbonate 1533.29
    cyrene 604.48
    2-ethoxyethyl acetate 894.47
    2-ethylhexyl acetate 949.0
    1,2,4-trichlorobenzene 1843.65
    4-methylpyridine 2065.63
    dibutyl ether 1183.19
    2,6-dimethyl-4-heptanol 392.59
    DEF 1510.66
    dimethyl isosorbide 964.97
    tetrachloroethylene 3442.41
    eugenol 666.24
    triacetin 940.19
    span 80 584.23
    1,4-butanediol 392.05
    1,1-dichloroethane 3450.65
    2-methyl-1-pentanol 809.07
    methyl formate 889.97
    2-methyl-1-butanol 981.86
    n-decane 352.69
    butyronitrile 1633.7
    3,7-dimethyl-1-octanol 608.81
    1-chlorooctane 942.84
    1-chlorotetradecane 380.56
    n-nonane 417.16
    undecane 252.89
    tert-butylcyclohexane 430.5
    cyclooctane 578.71
    cyclopentanol 1419.8
    tetrahydropyran 2863.08
    tert-amyl methyl ether 994.68
    2,5,8-trioxanonane 948.44
    1-hexene 1691.79
    2-isopropoxyethanol 638.89
    2,2,2-trifluoroethanol 483.96
    methyl butyrate 1414.56

    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