2-Butanone, 3,3-diethoxy-

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  • Identifiers

    CAS number
    51933-13-2

    Molecular formula
    C8H16O3

    SMILES
    CCOC(C)(C(=O)C)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.31%
    Ethereal 48.9%
    Sweet 33.58%
    Buttery 33.55%
    Nutty 31.79%
    Caramellic 29.56%
    Earthy 29.35%
    Fresh 26.66%
    Rummy 24.22%
    Herbal 24.16%

     

    Flavor
    Fruity 67.9%
    Sweet 61.57%
    Green 56.44%
    Fruit 41.92%
    Earthy 38.85%
    Ether 37.54%
    Vegetable 34.12%
    Pineapple 31.55%
    Ethereal 31.27%
    Fatty 31.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.14 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point

    • 47.15 ˚C est.

  • Synonyms

    • 3,3-diethoxybutan-2-one
    • 2-Butanone, 3,3-diethoxy-
    • RefChem:467381
    • 51933-13-2
    • 3,3-DIETHOXY-2-BUTANONE
    • MFCD18969946
    • SCHEMBL10999225
    • DTXSID20447978
    • DB-323767
    • CS-0242360
    • NS00124414
    • E84752
    • EN300-247924
    • 51933-13-2

  • Applications

    2-Butanone, 3,3-diethoxy- (CAS number: 51933-13-2) is primarily used as a carbonyl-protecting group (ketal) in organic synthesis, enabling multi-step sequences by stabilizing the ketone functionality. It also serves as a synthetic intermediate and building block in the manufacture of pharmaceuticals and other specialty chemicals, where the acetal functionality can be transformed or deprotected as needed. As a specialized intermediate, it may be employed to access further acetals/ketals for process chemistry. In some processes, it can function as a solvent or co-solvent in organic manufacturing, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1449.81
    methanol 2588.66
    isopropanol 1258.35
    water 37.26
    ethyl acetate 1621.14
    n-propanol 1437.74
    acetone 1867.57
    n-butanol 1164.04
    acetonitrile 2378.06
    DMF 2609.85
    toluene 1135.08
    isobutanol 1128.2
    1,4-dioxane 2603.57
    methyl acetate 1793.8
    THF 2352.83
    2-butanone 1762.72
    n-pentanol 932.26
    sec-butanol 1439.09
    n-hexane 529.76
    ethylene glycol 499.85
    NMP 2531.86
    cyclohexane 1090.54
    DMSO 2066.9
    n-butyl acetate 1027.16
    n-octanol 673.37
    chloroform 7041.52
    n-propyl acetate 984.41
    acetic acid 1769.12
    dichloromethane 7521.17
    cyclohexanone 2657.28
    propylene glycol 482.86
    isopropyl acetate 925.04
    DMAc 2532.92
    2-ethoxyethanol 1344.68
    isopentanol 889.87
    n-heptane 317.34
    ethyl formate 1459.83
    1,2-dichloroethane 3564.92
    n-hexanol 838.33
    2-methoxyethanol 1980.24
    isobutyl acetate 602.28
    tetrachloromethane 1822.65
    n-pentyl acetate 816.99
    transcutol 1492.05
    n-heptanol 492.24
    ethylbenzene 863.76
    MIBK 716.25
    2-propoxyethanol 1109.75
    tert-butanol 1433.11
    MTBE 1446.38
    2-butoxyethanol 680.69
    propionic acid 1329.99
    o-xylene 1004.65
    formic acid 810.67
    diethyl ether 1687.08
    m-xylene 697.8
    p-xylene 1291.56
    chlorobenzene 1768.41
    dimethyl carbonate 672.33
    n-octane 183.26
    formamide 1025.26
    cyclopentanone 2283.34
    2-pentanone 1257.42
    anisole 1230.04
    cyclopentyl methyl ether 1383.32
    gamma-butyrolactone 2642.74
    1-methoxy-2-propanol 1251.22
    pyridine 2494.8
    3-pentanone 1408.99
    furfural 2586.59
    n-dodecane 133.72
    diethylene glycol 814.96
    diisopropyl ether 519.98
    tert-amyl alcohol 1502.41
    acetylacetone 1444.3
    n-hexadecane 152.56
    acetophenone 1205.06
    methyl propionate 1351.91
    isopentyl acetate 841.28
    trichloroethylene 5579.37
    n-nonanol 552.9
    cyclohexanol 1589.09
    benzyl alcohol 996.12
    2-ethylhexanol 634.59
    isooctanol 408.5
    dipropyl ether 727.96
    1,2-dichlorobenzene 1779.45
    ethyl lactate 540.49
    propylene carbonate 1577.74
    n-methylformamide 1762.1
    2-pentanol 885.64
    n-pentane 460.98
    1-propoxy-2-propanol 733.31
    1-methoxy-2-propyl acetate 773.29
    2-(2-methoxypropoxy) propanol 599.63
    mesitylene 538.38
    ε-caprolactone 2177.44
    p-cymene 513.47
    epichlorohydrin 2906.1
    1,1,1-trichloroethane 3403.92
    2-aminoethanol 786.14
    morpholine-4-carbaldehyde 2350.12
    sulfolane 2778.37
    2,2,4-trimethylpentane 274.43
    2-methyltetrahydrofuran 2040.3
    n-hexyl acetate 1152.41
    isooctane 133.15
    2-(2-butoxyethoxy)ethanol 665.79
    sec-butyl acetate 660.13
    tert-butyl acetate 873.38
    decalin 409.06
    glycerin 639.04
    diglyme 1709.81
    acrylic acid 1214.29
    isopropyl myristate 445.91
    n-butyric acid 1416.39
    acetyl acetate 1200.93
    di(2-ethylhexyl) phthalate 374.45
    ethyl propionate 1078.57
    nitromethane 2996.16
    1,2-diethoxyethane 936.45
    benzonitrile 1619.32
    trioctyl phosphate 300.84
    1-bromopropane 2323.33
    gamma-valerolactone 2793.36
    n-decanol 384.63
    triethyl phosphate 546.66
    4-methyl-2-pentanol 450.33
    propionitrile 1886.5
    vinylene carbonate 1833.08
    1,1,2-trichlorotrifluoroethane 2009.92
    DMS 953.81
    cumene 597.38
    2-octanol 480.53
    2-hexanone 1005.62
    octyl acetate 571.09
    limonene 789.76
    1,2-dimethoxyethane 2557.08
    ethyl orthosilicate 500.86
    tributyl phosphate 381.14
    diacetone alcohol 732.55
    N,N-dimethylaniline 950.11
    acrylonitrile 2201.87
    aniline 1152.59
    1,3-propanediol 978.93
    bromobenzene 2070.97
    dibromomethane 4727.23
    1,1,2,2-tetrachloroethane 4565.23
    2-methyl-cyclohexyl acetate 711.5
    tetrabutyl urea 482.29
    diisobutyl methanol 339.68
    2-phenylethanol 735.39
    styrene 1044.26
    dioctyl adipate 601.87
    dimethyl sulfate 1086.28
    ethyl butyrate 935.43
    methyl lactate 633.3
    butyl lactate 534.67
    diethyl carbonate 750.87
    propanediol butyl ether 552.97
    triethyl orthoformate 654.85
    p-tert-butyltoluene 481.18
    methyl 4-tert-butylbenzoate 835.37
    morpholine 2402.4
    tert-butylamine 1179.06
    n-dodecanol 299.3
    dimethoxymethane 1578.08
    ethylene carbonate 1507.91
    cyrene 666.76
    2-ethoxyethyl acetate 847.23
    2-ethylhexyl acetate 762.05
    1,2,4-trichlorobenzene 1966.81
    4-methylpyridine 2501.69
    dibutyl ether 816.17
    2,6-dimethyl-4-heptanol 339.68
    DEF 1782.73
    dimethyl isosorbide 957.27
    tetrachloroethylene 3596.32
    eugenol 725.24
    triacetin 951.99
    span 80 514.64
    1,4-butanediol 565.18
    1,1-dichloroethane 3413.48
    2-methyl-1-pentanol 810.09
    methyl formate 1567.7
    2-methyl-1-butanol 1018.67
    n-decane 228.07
    butyronitrile 1706.32
    3,7-dimethyl-1-octanol 556.9
    1-chlorooctane 694.25
    1-chlorotetradecane 277.3
    n-nonane 255.81
    undecane 162.94
    tert-butylcyclohexane 329.06
    cyclooctane 360.7
    cyclopentanol 1560.19
    tetrahydropyran 2376.77
    tert-amyl methyl ether 1206.1
    2,5,8-trioxanonane 1027.39
    1-hexene 1009.13
    2-isopropoxyethanol 871.6
    2,2,2-trifluoroethanol 735.12
    methyl butyrate 1433.31

    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