1,1-Diethoxypropan-2-one

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  • Identifiers

    CAS number
    5774-26-5

    Molecular formula
    C7H14O3

    SMILES
    CCOC(C(=O)C)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 64.45%
    Ethereal 58.33%
    Sweet 55.09%
    Caramellic 38.85%
    Buttery 37.29%
    Nutty 34.6%
    Earthy 32.97%
    Pungent 32.64%
    Herbal 32.26%
    Alcoholic 32.16%

     

    Flavor
    Fruity 48.6%
    Sweet 41.58%
    Fatty 41.34%
    Nutty 37.68%
    Vegetable 37.31%
    Earthy 33.81%
    Green 33.78%
    Musty 32.27%
    Creamy 31.94%
    Potato 30.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.75 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 46.41 ˚C est.

  • Synonyms

    • 1,1-diethoxypropan-2-one
    • RefChem:409828
    • 821-655-6
    • 1,1-Diethoxyacetone
    • 5774-26-5
    • 2-Propanone, 1,1-diethoxy-
    • Pyruvaldehyde, 1-(diethyl acetal)
    • 1,1-diethoxy-2-propanone
    • NSC53168
    • 2-Propanone,1-diethoxy-
    • SCHEMBL844028
    • DTXSID00879011
    • SDMOBEHDSJVJHU-UHFFFAOYSA-N
    • FAA77426
    • NSC-53168
    • AKOS017518016
    • AT37347
    • DB-161805
    • EN300-252753
    • 5774-26-5

  • Applications

    Primarily used as an intermediate in organic synthesis, 1,1-diethoxypropan-2-one provides access to beta-dicarbonyl and acetal derivatives and is valued as a dialkyl acetal-containing building block for protecting carbonyl functionality in multi-step routes. It may also function as a solvent or co-solvent in niche formulations, including specialty coatings, inks, and cleaning products. In addition, it can serve as a precursor for polymerizable resins and plastics through acetal chemistry, and it may appear as an intermediate in pharmaceutical synthesis under controlled conditions. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 912.13
    methanol 1563.65
    isopropanol 704.32
    water 25.33
    ethyl acetate 726.9
    n-propanol 762.59
    acetone 1082.42
    n-butanol 604.53
    acetonitrile 1345.94
    DMF 1553.01
    toluene 390.07
    isobutanol 594.37
    1,4-dioxane 1309.7
    methyl acetate 893.56
    THF 1140.51
    2-butanone 826.39
    n-pentanol 489.46
    sec-butanol 724.79
    n-hexane 166.07
    ethylene glycol 430.8
    NMP 1436.9
    cyclohexane 376.45
    DMSO 1296.47
    n-butyl acetate 565.45
    n-octanol 369.18
    chloroform 3548.74
    n-propyl acetate 511.6
    acetic acid 1543.52
    dichloromethane 3649.03
    cyclohexanone 1232.06
    propylene glycol 409.06
    isopropyl acetate 384.64
    DMAc 1342.12
    2-ethoxyethanol 739.23
    isopentanol 427.55
    n-heptane 150.92
    ethyl formate 836.83
    1,2-dichloroethane 1714.91
    n-hexanol 451.81
    2-methoxyethanol 1152.37
    isobutyl acetate 303.62
    tetrachloromethane 739.63
    n-pentyl acetate 424.51
    transcutol 881.84
    n-heptanol 274.44
    ethylbenzene 312.55
    MIBK 293.84
    2-propoxyethanol 638.34
    tert-butanol 712.7
    MTBE 545.01
    2-butoxyethanol 417.15
    propionic acid 905.33
    o-xylene 368.57
    formic acid 678.18
    diethyl ether 563.01
    m-xylene 257.88
    p-xylene 481.37
    chlorobenzene 860.16
    dimethyl carbonate 339.19
    n-octane 77.48
    formamide 711.43
    cyclopentanone 1188.09
    2-pentanone 530.34
    anisole 537.83
    cyclopentyl methyl ether 561.41
    gamma-butyrolactone 1532.87
    1-methoxy-2-propanol 675.75
    pyridine 1240.53
    3-pentanone 536.98
    furfural 1632.25
    n-dodecane 69.85
    diethylene glycol 563.89
    diisopropyl ether 174.16
    tert-amyl alcohol 684.89
    acetylacetone 646.67
    n-hexadecane 78.59
    acetophenone 567.78
    methyl propionate 619.44
    isopentyl acetate 432.61
    trichloroethylene 3094.75
    n-nonanol 298.05
    cyclohexanol 791.01
    benzyl alcohol 528.4
    2-ethylhexanol 332.71
    isooctanol 221.35
    dipropyl ether 360.41
    1,2-dichlorobenzene 872.03
    ethyl lactate 354.55
    propylene carbonate 994.37
    n-methylformamide 973.63
    2-pentanol 408.9
    n-pentane 161.85
    1-propoxy-2-propanol 445.38
    1-methoxy-2-propyl acetate 419.31
    2-(2-methoxypropoxy) propanol 366.66
    mesitylene 198.04
    ε-caprolactone 1083.08
    p-cymene 243.5
    epichlorohydrin 1533.54
    1,1,1-trichloroethane 1591.35
    2-aminoethanol 556.15
    morpholine-4-carbaldehyde 1272.69
    sulfolane 1655.11
    2,2,4-trimethylpentane 99.79
    2-methyltetrahydrofuran 914.33
    n-hexyl acetate 594.77
    isooctane 50.34
    2-(2-butoxyethoxy)ethanol 393.19
    sec-butyl acetate 294.49
    tert-butyl acetate 357.41
    decalin 155.7
    glycerin 538.27
    diglyme 958.73
    acrylic acid 951.35
    isopropyl myristate 246.29
    n-butyric acid 888.36
    acetyl acetate 536.43
    di(2-ethylhexyl) phthalate 228.63
    ethyl propionate 481.05
    nitromethane 1870.18
    1,2-diethoxyethane 453.85
    benzonitrile 858.87
    trioctyl phosphate 196.57
    1-bromopropane 947.83
    gamma-valerolactone 1419.03
    n-decanol 222.24
    triethyl phosphate 304.21
    4-methyl-2-pentanol 203.85
    propionitrile 921.86
    vinylene carbonate 1114.92
    1,1,2-trichlorotrifluoroethane 1380.77
    DMS 506.04
    cumene 232.59
    2-octanol 247.01
    2-hexanone 468.78
    octyl acetate 331.5
    limonene 364.59
    1,2-dimethoxyethane 1260.26
    ethyl orthosilicate 264.76
    tributyl phosphate 237.22
    diacetone alcohol 391.76
    N,N-dimethylaniline 423.84
    acrylonitrile 1192.44
    aniline 545.06
    1,3-propanediol 636.96
    bromobenzene 913.17
    dibromomethane 2258.27
    1,1,2,2-tetrachloroethane 2498.57
    2-methyl-cyclohexyl acetate 376.27
    tetrabutyl urea 296.1
    diisobutyl methanol 186.26
    2-phenylethanol 407.91
    styrene 409.72
    dioctyl adipate 380.68
    dimethyl sulfate 576.69
    ethyl butyrate 496.57
    methyl lactate 415.33
    butyl lactate 325.46
    diethyl carbonate 419.19
    propanediol butyl ether 386.36
    triethyl orthoformate 349.57
    p-tert-butyltoluene 229.42
    methyl 4-tert-butylbenzoate 458.47
    morpholine 1219.31
    tert-butylamine 525.05
    n-dodecanol 179.93
    dimethoxymethane 758.32
    ethylene carbonate 881.63
    cyrene 424.89
    2-ethoxyethyl acetate 439.82
    2-ethylhexyl acetate 376.21
    1,2,4-trichlorobenzene 990.47
    4-methylpyridine 1152.85
    dibutyl ether 369.8
    2,6-dimethyl-4-heptanol 186.26
    DEF 838.1
    dimethyl isosorbide 577.2
    tetrachloroethylene 1878.61
    eugenol 412.26
    triacetin 555.75
    span 80 359.29
    1,4-butanediol 396.51
    1,1-dichloroethane 1653.71
    2-methyl-1-pentanol 401.35
    methyl formate 943.93
    2-methyl-1-butanol 502.56
    n-decane 104.77
    butyronitrile 841.79
    3,7-dimethyl-1-octanol 302.5
    1-chlorooctane 342.29
    1-chlorotetradecane 147.85
    n-nonane 110.07
    undecane 81.3
    tert-butylcyclohexane 128.66
    cyclooctane 115.07
    cyclopentanol 859.09
    tetrahydropyran 1011.87
    tert-amyl methyl ether 442.29
    2,5,8-trioxanonane 620.06
    1-hexene 380.06
    2-isopropoxyethanol 469.98
    2,2,2-trifluoroethanol 558.45
    methyl butyrate 712.95

    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