Ethyl 3,3-diethoxypropionate

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  • Identifiers

    CAS number
    10601-80-6

    Molecular formula
    C9H18O4

    SMILES
    CCOC(CC(=O)OCC)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.33%
    Apple 57.04%
    Fresh 54.33%
    Ethereal 50.03%
    Green 49.21%
    Winey 42.58%
    Sweet 41.71%
    Herbal 31.57%
    Tropical 30.39%
    Rummy 30.03%

     

    Flavor
    Fruity 78.43%
    Green 56.7%
    Sweet 48.05%
    Pineapple 44.49%
    Fruit 43.61%
    Tropical 38.06%
    Fatty 38.01%
    Apple 34.95%
    Vegetable 33.32%
    Wine 32.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.85 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 72.6 ˚C est.

  • Synonyms

    • Ethyl 3,3-diethoxypropionate
    • 10601-80-6
    • Propanoic acid, 3,3-diethoxy-, ethyl ester
    • AI3-22276
    • EINECS 234-223-1
    • DTXSID70147476
    • NSC 83149
    • RefChem:594540
    • DTXCID0069967
    • 234-223-1
    • Ethyl 3,3-diethoxypropanoate
    • 3,3-Diethoxypropionic Acid Ethyl Ester
    • ETHYL3,3-DIETHOXYPROPIONATE
    • MFCD00009865
    • 949D397DXS
    • NSC-83149
    • 3,3-Diethoxy-propionic acid ethyl ester
    • ethyl-3,3-diethoxypropionate
    • NCIOpen2_001167
    • ethyl 3.3-diethoxypropanoate
    • SCHEMBL204730
    • UNII-949D397DXS
    • ethyl 3,3-diethoxy-propanoate
    • ethyl 3,3-diethoxy-propionate
    • orb3021428
    • SCHEMBL4848156
    • Ethyl 3,3-diethoxypropanoate #
    • SIALOQYKFQEKOG-UHFFFAOYSA-
    • Ethyl beta,beta-diethoxypropionate
    • NSC83149
    • CL4507
    • SBB054126
    • STL195590
    • AKOS005137982
    • AC-1404
    • CS-W015890
    • FE16070
    • PB19867
    • AS-11094
    • BP-12776
    • SY001043
    • beta,beta-diethoxypropionic acid ethyl ester
    • DB-029743
    • D1962
    • Malonaldehydic acid ethyl ester diethylacetal
    • NS00052076
    • EN300-43929
    • F067171
    • Ethyl 3,3-diethoxypropionate, 90%, technical grade
    • F0001-0131
    • Z445152476
    • InChI=1/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
    • 10601-80-6

  • Applications

    Ethyl 3,3-diethoxypropionate (10601-80-6) is primarily used as an intermediate in chemical synthesis for resins and polymers, and as a processing solvent in coatings, inks, and adhesives. It can function as a plasticizer in certain polymer formulations to improve flexibility, and as a reactive or processing diluent in polyurethane and acrylic systems. It is also used as an industrial cleaning solvent for parts and equipment where compatible solvents are required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 768.29
    methanol 1203.69
    isopropanol 590.05
    water 18.14
    ethyl acetate 795.0
    n-propanol 533.97
    acetone 1164.47
    n-butanol 435.94
    acetonitrile 814.67
    DMF 1716.52
    toluene 439.91
    isobutanol 414.38
    1,4-dioxane 1241.85
    methyl acetate 815.15
    THF 1687.61
    2-butanone 656.4
    n-pentanol 257.08
    sec-butanol 504.07
    n-hexane 79.49
    ethylene glycol 362.36
    NMP 2712.41
    cyclohexane 251.26
    DMSO 1586.73
    n-butyl acetate 313.33
    n-octanol 153.36
    chloroform 2708.14
    n-propyl acetate 307.64
    acetic acid 2499.53
    dichloromethane 2424.22
    cyclohexanone 1454.26
    propylene glycol 360.04
    isopropyl acetate 441.83
    DMAc 2091.4
    2-ethoxyethanol 480.18
    isopentanol 351.02
    n-heptane 42.94
    ethyl formate 510.26
    1,2-dichloroethane 1255.52
    n-hexanol 225.16
    2-methoxyethanol 1029.42
    isobutyl acetate 205.37
    tetrachloromethane 396.83
    n-pentyl acetate 250.85
    transcutol 914.78
    n-heptanol 107.19
    ethylbenzene 189.96
    MIBK 282.11
    2-propoxyethanol 467.76
    tert-butanol 700.47
    MTBE 487.37
    2-butoxyethanol 224.82
    propionic acid 938.18
    o-xylene 307.5
    formic acid 945.81
    diethyl ether 455.84
    m-xylene 262.38
    p-xylene 290.34
    chlorobenzene 706.05
    dimethyl carbonate 362.02
    n-octane 19.56
    formamide 946.87
    cyclopentanone 1568.3
    2-pentanone 509.92
    anisole 370.16
    cyclopentyl methyl ether 812.77
    gamma-butyrolactone 2126.33
    1-methoxy-2-propanol 649.7
    pyridine 1167.63
    3-pentanone 495.6
    furfural 1698.4
    n-dodecane 20.97
    diethylene glycol 452.16
    diisopropyl ether 134.55
    tert-amyl alcohol 581.65
    acetylacetone 864.68
    n-hexadecane 24.21
    acetophenone 417.15
    methyl propionate 702.04
    isopentyl acetate 287.02
    trichloroethylene 2475.48
    n-nonanol 139.04
    cyclohexanol 797.39
    benzyl alcohol 355.36
    2-ethylhexanol 157.26
    isooctanol 93.32
    dipropyl ether 186.23
    1,2-dichlorobenzene 635.93
    ethyl lactate 215.73
    propylene carbonate 1085.06
    n-methylformamide 881.93
    2-pentanol 287.39
    n-pentane 74.61
    1-propoxy-2-propanol 299.69
    1-methoxy-2-propyl acetate 388.57
    2-(2-methoxypropoxy) propanol 327.01
    mesitylene 163.57
    ε-caprolactone 1339.15
    p-cymene 113.25
    epichlorohydrin 1584.01
    1,1,1-trichloroethane 1310.51
    2-aminoethanol 478.33
    morpholine-4-carbaldehyde 1582.12
    sulfolane 2153.01
    2,2,4-trimethylpentane 51.56
    2-methyltetrahydrofuran 1223.87
    n-hexyl acetate 393.26
    isooctane 27.1
    2-(2-butoxyethoxy)ethanol 367.26
    sec-butyl acetate 239.16
    tert-butyl acetate 408.92
    decalin 94.15
    glycerin 528.27
    diglyme 652.73
    acrylic acid 927.8
    isopropyl myristate 151.89
    n-butyric acid 961.5
    acetyl acetate 759.36
    di(2-ethylhexyl) phthalate 188.62
    ethyl propionate 369.85
    nitromethane 2561.14
    1,2-diethoxyethane 319.39
    benzonitrile 544.63
    trioctyl phosphate 117.62
    1-bromopropane 573.69
    gamma-valerolactone 1912.95
    n-decanol 99.01
    triethyl phosphate 198.54
    4-methyl-2-pentanol 151.1
    propionitrile 512.6
    vinylene carbonate 1052.58
    1,1,2-trichlorotrifluoroethane 1474.83
    DMS 444.63
    cumene 134.07
    2-octanol 90.4
    2-hexanone 275.11
    octyl acetate 201.13
    limonene 195.26
    1,2-dimethoxyethane 776.87
    ethyl orthosilicate 173.21
    tributyl phosphate 171.24
    diacetone alcohol 431.04
    N,N-dimethylaniline 282.42
    acrylonitrile 716.34
    aniline 566.08
    1,3-propanediol 572.4
    bromobenzene 763.1
    dibromomethane 1448.74
    1,1,2,2-tetrachloroethane 2086.8
    2-methyl-cyclohexyl acetate 270.56
    tetrabutyl urea 220.44
    diisobutyl methanol 95.66
    2-phenylethanol 267.74
    styrene 249.92
    dioctyl adipate 288.23
    dimethyl sulfate 686.48
    ethyl butyrate 282.51
    methyl lactate 418.76
    butyl lactate 211.8
    diethyl carbonate 238.39
    propanediol butyl ether 251.03
    triethyl orthoformate 217.65
    p-tert-butyltoluene 108.08
    methyl 4-tert-butylbenzoate 354.19
    morpholine 1457.98
    tert-butylamine 443.11
    n-dodecanol 76.61
    dimethoxymethane 704.75
    ethylene carbonate 853.57
    cyrene 415.67
    2-ethoxyethyl acetate 348.92
    2-ethylhexyl acetate 235.54
    1,2,4-trichlorobenzene 815.5
    4-methylpyridine 1144.06
    dibutyl ether 200.54
    2,6-dimethyl-4-heptanol 95.66
    DEF 860.96
    dimethyl isosorbide 577.74
    tetrachloroethylene 1330.05
    eugenol 304.7
    triacetin 515.85
    span 80 329.52
    1,4-butanediol 223.85
    1,1-dichloroethane 1263.31
    2-methyl-1-pentanol 241.03
    methyl formate 728.55
    2-methyl-1-butanol 383.72
    n-decane 33.41
    butyronitrile 489.01
    3,7-dimethyl-1-octanol 153.46
    1-chlorooctane 125.4
    1-chlorotetradecane 58.07
    n-nonane 31.85
    undecane 25.38
    tert-butylcyclohexane 70.16
    cyclooctane 57.97
    cyclopentanol 841.02
    tetrahydropyran 1170.69
    tert-amyl methyl ether 403.19
    2,5,8-trioxanonane 521.42
    1-hexene 189.04
    2-isopropoxyethanol 298.61
    2,2,2-trifluoroethanol 815.65
    methyl butyrate 479.09

    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