Ethyl 2,2-diethoxypropionate

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  • Identifiers

    CAS number
    7476-20-2

    Molecular formula
    C9H18O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.11%
    Ethereal 41.3%
    Buttery 33.91%
    Caramellic 31.07%
    Winey 28.09%
    Apple 27.6%
    Sweet 27.13%
    Fresh 26.65%
    Brandy 22.56%
    Fermented 22.18%

     

    Flavor
    Fruity 78.92%
    Green 54.29%
    Sweet 50.13%
    Fruit 46.44%
    Bitter 35.86%
    Pineapple 34.4%
    Apple 34.36%
    Wine 32.86%
    Tropical 32.55%
    Fatty 31.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.2 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 62.56 ˚C est.

  • Synonyms

    • Ethyl 2,2-diethoxypropanoate
    • Ethyl 2,2-diethoxypropionate
    • Propionic acid, 2,2-diethoxy-, ethyl ester
    • EZ0F472PLF
    • NSC 38952
    • NSC 171559
    • NSC 401898
    • BRN 1772124
    • NSC-38952
    • UNII-EZ0F472PLF
    • NSC-171559
    • NSC-401898
    • 2,2-Diethoxypropionic acid ethyl ester
    • DTXSID10225742
    • 4-03-00-01513 (Beilstein Handbook Reference)
    • ETHYL PYRUVATE 2-(DIETHYL ACETAL)
    • ETHYL .ALPHA.,.ALPHA.-DIETHOXYPROPIONATE
    • PYRUVIC ACID, ETHYL ESTER, DIETHYL ACETAL
    • PYRUVIC ACID, ETHYL ESTER, 2-(DIETHYL ACETAL)
    • RefChem:138510
    • DTXCID40148233
    • ETHYL ALPHA,ALPHA-DIETHOXYPROPIONATE
    • BVAMIFTXHAJQHP-UHFFFAOYSA-N
    • 7476-20-2
    • Propanoic acid, 2,2-diethoxy-, ethyl ester
    • MFCD00043719
    • Propanoic acid,2-diethoxy-, ethyl ester
    • Propionic acid,2-diethoxy-, ethyl ester
    • ethyl pyruvate diethyl ketal
    • SCHEMBL6507050
    • Ethyl 2,2-diethoxypropanoate #
    • NSC38952
    • NSC171559
    • NSC401898
    • SBB008131
    • AKOS006272910
    • DB-074877
    • CS-0298774
    • EN300-123184
    • V10018
    • F341983
    • 7476-20-2

  • Applications

    Ethyl 2,2-diethoxypropionate is an acetal-bearing ethyl ester commonly used as an intermediate in organic synthesis. It can serve as an acetal-protecting group for carbonyls in multi-step routes, enabling subsequent reactions without affecting the carbonyl. In industrial practice, it may be used as a solvent or co-solvent in coatings, inks, and adhesive formulations; it can also act as a plasticizer or processing aid for polymers and coatings to improve processability and mechanical properties. It is considered a precursor or intermediate for the manufacture of fine chemicals and pharmaceuticals, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1401.66
    methanol 2163.58
    isopropanol 1025.42
    water 12.97
    ethyl acetate 1673.12
    n-propanol 1246.42
    acetone 1920.45
    n-butanol 1107.04
    acetonitrile 2026.58
    DMF 2235.91
    toluene 1320.53
    isobutanol 953.17
    1,4-dioxane 3104.63
    methyl acetate 1720.61
    THF 2533.07
    2-butanone 1550.53
    n-pentanol 995.77
    sec-butanol 1158.79
    n-hexane 413.22
    ethylene glycol 407.48
    NMP 2271.0
    cyclohexane 1347.21
    DMSO 1896.83
    n-butyl acetate 1207.04
    n-octanol 646.48
    chloroform 7012.24
    n-propyl acetate 1156.31
    acetic acid 2537.58
    dichloromethane 6869.32
    cyclohexanone 2719.61
    propylene glycol 378.88
    isopropyl acetate 945.99
    DMAc 1968.43
    2-ethoxyethanol 1390.79
    isopentanol 820.89
    n-heptane 256.81
    ethyl formate 1466.9
    1,2-dichloroethane 3529.25
    n-hexanol 846.66
    2-methoxyethanol 1886.59
    isobutyl acetate 650.2
    tetrachloromethane 1869.68
    n-pentyl acetate 997.54
    transcutol 1495.56
    n-heptanol 514.79
    ethylbenzene 868.07
    MIBK 626.16
    2-propoxyethanol 1144.03
    tert-butanol 1168.96
    MTBE 1179.46
    2-butoxyethanol 746.58
    propionic acid 1412.44
    o-xylene 903.74
    formic acid 970.83
    diethyl ether 1576.85
    m-xylene 685.0
    p-xylene 1240.01
    chlorobenzene 2226.43
    dimethyl carbonate 687.73
    n-octane 163.42
    formamide 1274.48
    cyclopentanone 2096.65
    2-pentanone 1137.74
    anisole 1260.46
    cyclopentyl methyl ether 1362.86
    gamma-butyrolactone 2766.68
    1-methoxy-2-propanol 1045.39
    pyridine 3206.12
    3-pentanone 1191.35
    furfural 2877.8
    n-dodecane 113.31
    diethylene glycol 836.16
    diisopropyl ether 436.14
    tert-amyl alcohol 1274.73
    acetylacetone 1316.74
    n-hexadecane 133.2
    acetophenone 1223.37
    methyl propionate 1294.53
    isopentyl acetate 946.72
    trichloroethylene 6164.78
    n-nonanol 534.47
    cyclohexanol 1798.94
    benzyl alcohol 1210.13
    2-ethylhexanol 608.74
    isooctanol 390.32
    dipropyl ether 662.27
    1,2-dichlorobenzene 1890.14
    ethyl lactate 505.19
    propylene carbonate 1632.41
    n-methylformamide 1569.79
    2-pentanol 777.91
    n-pentane 370.77
    1-propoxy-2-propanol 708.57
    1-methoxy-2-propyl acetate 767.79
    2-(2-methoxypropoxy) propanol 517.56
    mesitylene 483.05
    ε-caprolactone 2416.41
    p-cymene 482.01
    epichlorohydrin 2965.38
    1,1,1-trichloroethane 3633.23
    2-aminoethanol 693.53
    morpholine-4-carbaldehyde 2109.25
    sulfolane 2560.57
    2,2,4-trimethylpentane 197.32
    2-methyltetrahydrofuran 2098.63
    n-hexyl acetate 1232.62
    isooctane 96.77
    2-(2-butoxyethoxy)ethanol 694.73
    sec-butyl acetate 718.55
    tert-butyl acetate 843.5
    decalin 409.25
    glycerin 554.48
    diglyme 1623.04
    acrylic acid 1341.83
    isopropyl myristate 425.83
    n-butyric acid 1661.6
    acetyl acetate 1266.59
    di(2-ethylhexyl) phthalate 382.32
    ethyl propionate 1070.29
    nitromethane 3211.82
    1,2-diethoxyethane 1031.03
    benzonitrile 1814.83
    trioctyl phosphate 321.6
    1-bromopropane 2140.24
    gamma-valerolactone 2728.89
    n-decanol 356.15
    triethyl phosphate 504.9
    4-methyl-2-pentanol 373.84
    propionitrile 1699.75
    vinylene carbonate 1868.17
    1,1,2-trichlorotrifluoroethane 2086.09
    DMS 930.74
    cumene 548.78
    2-octanol 482.78
    2-hexanone 982.68
    octyl acetate 583.46
    limonene 705.21
    1,2-dimethoxyethane 2402.67
    ethyl orthosilicate 468.42
    tributyl phosphate 374.4
    diacetone alcohol 681.34
    N,N-dimethylaniline 846.59
    acrylonitrile 1942.71
    aniline 1383.03
    1,3-propanediol 950.45
    bromobenzene 2390.69
    dibromomethane 4635.41
    1,1,2,2-tetrachloroethane 4992.73
    2-methyl-cyclohexyl acetate 700.22
    tetrabutyl urea 471.33
    diisobutyl methanol 302.09
    2-phenylethanol 887.39
    styrene 1179.8
    dioctyl adipate 578.96
    dimethyl sulfate 935.88
    ethyl butyrate 921.57
    methyl lactate 575.9
    butyl lactate 530.39
    diethyl carbonate 752.56
    propanediol butyl ether 557.91
    triethyl orthoformate 687.16
    p-tert-butyltoluene 443.07
    methyl 4-tert-butylbenzoate 773.59
    morpholine 2824.67
    tert-butylamine 891.59
    n-dodecanol 266.65
    dimethoxymethane 1440.68
    ethylene carbonate 1633.11
    cyrene 625.78
    2-ethoxyethyl acetate 942.31
    2-ethylhexyl acetate 884.22
    1,2,4-trichlorobenzene 2159.22
    4-methylpyridine 2706.52
    dibutyl ether 738.0
    2,6-dimethyl-4-heptanol 302.09
    DEF 1516.8
    dimethyl isosorbide 908.03
    tetrachloroethylene 4266.99
    eugenol 715.35
    triacetin 840.37
    span 80 528.15
    1,4-butanediol 551.77
    1,1-dichloroethane 3451.33
    2-methyl-1-pentanol 817.87
    methyl formate 1489.68
    2-methyl-1-butanol 939.11
    n-decane 202.32
    butyronitrile 1576.19
    3,7-dimethyl-1-octanol 488.63
    1-chlorooctane 644.22
    1-chlorotetradecane 249.72
    n-nonane 220.39
    undecane 141.31
    tert-butylcyclohexane 280.75
    cyclooctane 352.49
    cyclopentanol 1629.16
    tetrahydropyran 2997.64
    tert-amyl methyl ether 964.87
    2,5,8-trioxanonane 884.43
    1-hexene 978.28
    2-isopropoxyethanol 861.62
    2,2,2-trifluoroethanol 845.71
    methyl butyrate 1407.15

    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