2-Ethoxyethyl acetoacetate

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  • Identifiers

    CAS number
    6963-40-2

    Molecular formula
    C8H14O4

    SMILES
    CCOCCOC(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.27%
    Sweet 62.02%
    Caramellic 60.37%
    Winey 50.2%
    Ethereal 40.18%
    Apple 34.6%
    Buttery 34.38%
    Fermented 33.7%
    Oily 32.88%
    Green 32.69%

     

    Flavor
    Fruity 81.9%
    Green 56.32%
    Sweet 48.2%
    Pineapple 40.73%
    Apple 40.37%
    Tropical 40.03%
    Fatty 39.19%
    Fruit 38.43%
    Fresh 33.58%
    Bitter 32.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.24 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    237°C

    Flash point

    • 97.4 ˚C est.

  • Synonyms

    • 2-Ethoxyethyl acetoacetate
    • 6963-40-2
    • 2-ethoxyethyl 3-oxobutanoate
    • EINECS 230-160-9
    • ethoxyethyl acetoacetate
    • AI3-06509
    • SCHEMBL768824
    • DTXSID90989739
    • NSC53776
    • NSC 53776
    • NSC-53776
    • Butanoic acid, 3-oxo-,2-ethoxyethyl ester
    • DS-010570
    • Butanoic acid, 3-oxo-, 2-ethoxyethyl ester
    • NS00043735
    • 6963-40-2

  • Applications

    2-Ethoxyethyl acetoacetate (CAS 6963-40-2) is a versatile beta-keto ester that primarily serves as an organic-synthesis intermediate and a building block for 1,3-dicarbonyl compounds. In industry, it is often used to prepare substituted acetoacetate derivatives and to introduce beta-keto functionality into polymers and coatings. It can function as a reactive monomer or co-monomer in polymer formulations, enabling crosslinking or post-polymerization modification in coatings, inks, and adhesives. It is also encountered as a solvent or co-solvent in chemical manufacturing and formulation workups. Additionally, it is evaluated as an intermediate for pharmaceutical or agrochemical syntheses where beta-keto ester motifs are valuable scaffolds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.51
    methanol 630.97
    isopropanol 206.46
    water 33.41
    ethyl acetate 95.57
    n-propanol 165.68
    acetone 353.77
    n-butanol 120.21
    acetonitrile 232.3
    DMF 1065.01
    toluene 33.88
    isobutanol 104.5
    1,4-dioxane 290.77
    methyl acetate 145.78
    THF 344.69
    2-butanone 128.36
    n-pentanol 65.98
    sec-butanol 108.54
    n-hexane 6.11
    ethylene glycol 248.18
    NMP 736.53
    cyclohexane 11.44
    DMSO 935.55
    n-butyl acetate 40.69
    n-octanol 28.27
    chloroform 296.22
    n-propyl acetate 43.44
    acetic acid 749.75
    dichloromethane 285.08
    cyclohexanone 190.75
    propylene glycol 216.02
    isopropyl acetate 51.33
    DMAc 1005.78
    2-ethoxyethanol 221.21
    isopentanol 82.14
    n-heptane 3.13
    ethyl formate 114.62
    1,2-dichloroethane 166.76
    n-hexanol 41.56
    2-methoxyethanol 540.43
    isobutyl acetate 29.04
    tetrachloromethane 31.09
    n-pentyl acetate 23.6
    transcutol 472.69
    n-heptanol 15.99
    ethylbenzene 20.05
    MIBK 48.84
    2-propoxyethanol 132.63
    tert-butanol 233.09
    MTBE 79.37
    2-butoxyethanol 54.2
    propionic acid 235.69
    o-xylene 35.49
    formic acid 512.28
    diethyl ether 66.74
    m-xylene 29.46
    p-xylene 31.56
    chlorobenzene 63.85
    dimethyl carbonate 64.97
    n-octane 1.42
    formamide 508.63
    cyclopentanone 239.97
    2-pentanone 80.56
    anisole 73.92
    cyclopentyl methyl ether 93.0
    gamma-butyrolactone 326.58
    1-methoxy-2-propanol 273.61
    pyridine 168.71
    3-pentanone 67.52
    furfural 396.15
    n-dodecane 2.03
    diethylene glycol 208.42
    diisopropyl ether 13.51
    tert-amyl alcohol 130.36
    acetylacetone 148.04
    n-hexadecane 2.27
    acetophenone 88.35
    methyl propionate 102.89
    isopentyl acetate 42.41
    trichloroethylene 316.53
    n-nonanol 25.39
    cyclohexanol 115.44
    benzyl alcohol 88.69
    2-ethylhexanol 25.75
    isooctanol 14.22
    dipropyl ether 25.57
    1,2-dichlorobenzene 75.77
    ethyl lactate 55.87
    propylene carbonate 157.51
    n-methylformamide 411.69
    2-pentanol 49.1
    n-pentane 5.46
    1-propoxy-2-propanol 80.26
    1-methoxy-2-propyl acetate 72.19
    2-(2-methoxypropoxy) propanol 126.75
    mesitylene 19.72
    ε-caprolactone 166.05
    p-cymene 16.95
    epichlorohydrin 277.96
    1,1,1-trichloroethane 126.95
    2-aminoethanol 282.6
    morpholine-4-carbaldehyde 569.32
    sulfolane 455.91
    2,2,4-trimethylpentane 4.33
    2-methyltetrahydrofuran 163.75
    n-hexyl acetate 50.78
    isooctane 2.39
    2-(2-butoxyethoxy)ethanol 136.03
    sec-butyl acetate 30.62
    tert-butyl acetate 61.27
    decalin 7.04
    glycerin 354.49
    diglyme 233.82
    acrylic acid 257.21
    isopropyl myristate 21.41
    n-butyric acid 180.89
    acetyl acetate 94.91
    di(2-ethylhexyl) phthalate 37.7
    ethyl propionate 49.77
    nitromethane 798.27
    1,2-diethoxyethane 68.86
    benzonitrile 96.09
    trioctyl phosphate 20.33
    1-bromopropane 60.9
    gamma-valerolactone 394.73
    n-decanol 18.93
    triethyl phosphate 38.39
    4-methyl-2-pentanol 27.45
    propionitrile 112.36
    vinylene carbonate 166.78
    1,1,2-trichlorotrifluoroethane 392.89
    DMS 75.5
    cumene 18.98
    2-octanol 11.9
    2-hexanone 48.83
    octyl acetate 27.81
    limonene 24.29
    1,2-dimethoxyethane 312.34
    ethyl orthosilicate 33.58
    tributyl phosphate 32.99
    diacetone alcohol 120.29
    N,N-dimethylaniline 70.06
    acrylonitrile 173.28
    aniline 92.5
    1,3-propanediol 275.43
    bromobenzene 54.74
    dibromomethane 158.13
    1,1,2,2-tetrachloroethane 270.27
    2-methyl-cyclohexyl acetate 44.61
    tetrabutyl urea 51.09
    diisobutyl methanol 17.16
    2-phenylethanol 51.3
    styrene 28.1
    dioctyl adipate 48.83
    dimethyl sulfate 174.16
    ethyl butyrate 38.85
    methyl lactate 117.73
    butyl lactate 39.13
    diethyl carbonate 39.58
    propanediol butyl ether 94.71
    triethyl orthoformate 37.83
    p-tert-butyltoluene 16.69
    methyl 4-tert-butylbenzoate 72.42
    morpholine 387.66
    tert-butylamine 106.26
    n-dodecanol 14.76
    dimethoxymethane 235.6
    ethylene carbonate 120.35
    cyrene 137.57
    2-ethoxyethyl acetate 48.39
    2-ethylhexyl acetate 31.94
    1,2,4-trichlorobenzene 102.83
    4-methylpyridine 166.14
    dibutyl ether 28.42
    2,6-dimethyl-4-heptanol 17.16
    DEF 186.02
    dimethyl isosorbide 181.59
    tetrachloroethylene 163.08
    eugenol 76.4
    triacetin 96.53
    span 80 85.07
    1,4-butanediol 103.16
    1,1-dichloroethane 137.95
    2-methyl-1-pentanol 54.97
    methyl formate 263.94
    2-methyl-1-butanol 79.77
    n-decane 3.13
    butyronitrile 103.55
    3,7-dimethyl-1-octanol 32.9
    1-chlorooctane 13.78
    1-chlorotetradecane 6.75
    n-nonane 2.81
    undecane 2.4
    tert-butylcyclohexane 6.19
    cyclooctane 2.95
    cyclopentanol 145.49
    tetrahydropyran 152.07
    tert-amyl methyl ether 59.52
    2,5,8-trioxanonane 208.3
    1-hexene 20.57
    2-isopropoxyethanol 98.93
    2,2,2-trifluoroethanol 252.92
    methyl butyrate 73.04

    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