2-Methoxyethyl acetoacetate

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  • Identifiers

    CAS number
    22502-03-0

    Molecular formula
    C7H12O4

    SMILES
    CC(=O)CC(=O)OCCOC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 88.25%
    Sweet 65.18%
    Caramellic 62.28%
    Winey 51.25%
    Ethereal 43.7%
    Green 37.08%
    Apple 36.55%
    Fermented 34.74%
    Buttery 34.72%
    Rummy 32.76%

     

    Flavor
    Fruity 81.93%
    Green 56.83%
    Sweet 45.76%
    Apple 39.91%
    Fatty 39.27%
    Tropical 38.26%
    Bitter 35.67%
    Floral 34.83%
    Pineapple 33.83%
    Fresh 33.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.48 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 90.07 ˚C est.

  • Synonyms

    • 2-Methoxyethyl acetoacetate
    • 2-Methoxyethyl 3-oxobutanoate
    • 22502-03-0
    • Acetoacetic Acid 2-Methoxyethyl Ester
    • Butanoic acid, 3-oxo-, 2-methoxyethyl ester
    • FN4CYZ9PV8
    • MFCD00009648
    • EINECS 245-043-8
    • DTXSID20177026
    • EC 245-043-8
    • 2-Methoxyethylacetoacetate
    • methoxyethyl acetoacetate
    • UNII-FN4CYZ9PV8
    • 2-Methoxyethyl3-oxobutanoate
    • 2-methoxyethyl-3-oxobutanoate
    • SCHEMBL410988
    • DTXCID1099517
    • 2-Methoxyethyl 3-oxobutanoate #
    • BCP21149
    • BBL009724
    • STL141089
    • AKOS000120251
    • CS-W016168
    • FM60070
    • AS-59795
    • SY049972
    • A1583
    • NS00005232
    • EN300-20225
    • F0001-0791
    • 2-Methoxyethyl acetoacetate, Lonza quality, >=97.5% (GC)
    • 245-043-8

  • Applications

    2-Methoxyethyl acetoacetate (CAS 22502-03-0) is primarily used as an organic synthesis intermediate, providing a beta-keto ester framework for pharmaceutical and specialty-chemical routes; it is also employed as a functional monomer or reactive additive in polymer and coating formulations, enabling crosslinking with amines or thiols in UV- or thermally cured systems; as a reactive solvent or co-solvent in paints, inks and resin formulations to adjust rheology and solubility; in polymer chemistry it can serve as a precursor to acetoacetyl-functional polymers or resins for subsequent post-functionalization; and it is commonly evaluated for adhesive and engineered-plastic applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.32
    methanol 995.58
    isopropanol 291.42
    water 190.03
    ethyl acetate 98.29
    n-propanol 222.31
    acetone 338.26
    n-butanol 147.24
    acetonitrile 264.17
    DMF 1170.18
    toluene 22.46
    isobutanol 130.85
    1,4-dioxane 341.6
    methyl acetate 178.35
    THF 349.72
    2-butanone 116.62
    n-pentanol 74.66
    sec-butanol 137.98
    n-hexane 4.45
    ethylene glycol 466.25
    NMP 768.81
    cyclohexane 9.91
    DMSO 723.64
    n-butyl acetate 30.71
    n-octanol 38.88
    chloroform 248.85
    n-propyl acetate 43.24
    acetic acid 1010.59
    dichloromethane 238.32
    cyclohexanone 173.65
    propylene glycol 416.14
    isopropyl acetate 45.79
    DMAc 955.05
    2-ethoxyethanol 267.37
    isopentanol 90.35
    n-heptane 3.36
    ethyl formate 147.71
    1,2-dichloroethane 118.13
    n-hexanol 48.39
    2-methoxyethanol 826.17
    isobutyl acetate 27.04
    tetrachloromethane 26.94
    n-pentyl acetate 22.05
    transcutol 434.82
    n-heptanol 21.92
    ethylbenzene 14.68
    MIBK 41.55
    2-propoxyethanol 155.73
    tert-butanol 297.2
    MTBE 69.33
    2-butoxyethanol 67.15
    propionic acid 319.76
    o-xylene 30.29
    formic acid 907.73
    diethyl ether 56.2
    m-xylene 22.43
    p-xylene 24.46
    chlorobenzene 42.68
    dimethyl carbonate 80.66
    n-octane 1.62
    formamide 790.37
    cyclopentanone 226.64
    2-pentanone 76.16
    anisole 67.63
    cyclopentyl methyl ether 93.07
    gamma-butyrolactone 346.01
    1-methoxy-2-propanol 374.09
    pyridine 142.1
    3-pentanone 59.74
    furfural 401.28
    n-dodecane 2.4
    diethylene glycol 281.74
    diisopropyl ether 11.45
    tert-amyl alcohol 159.62
    acetylacetone 123.55
    n-hexadecane 2.63
    acetophenone 78.91
    methyl propionate 124.59
    isopentyl acetate 29.64
    trichloroethylene 233.35
    n-nonanol 33.77
    cyclohexanol 147.71
    benzyl alcohol 91.46
    2-ethylhexanol 27.68
    isooctanol 18.38
    dipropyl ether 23.73
    1,2-dichlorobenzene 54.99
    ethyl lactate 70.62
    propylene carbonate 170.19
    n-methylformamide 549.42
    2-pentanol 60.06
    n-pentane 5.01
    1-propoxy-2-propanol 85.18
    1-methoxy-2-propyl acetate 62.25
    2-(2-methoxypropoxy) propanol 125.46
    mesitylene 15.24
    ε-caprolactone 169.25
    p-cymene 14.57
    epichlorohydrin 249.9
    1,1,1-trichloroethane 92.18
    2-aminoethanol 496.31
    morpholine-4-carbaldehyde 640.28
    sulfolane 398.87
    2,2,4-trimethylpentane 3.91
    2-methyltetrahydrofuran 151.01
    n-hexyl acetate 49.89
    isooctane 2.15
    2-(2-butoxyethoxy)ethanol 144.57
    sec-butyl acetate 27.06
    tert-butyl acetate 49.51
    decalin 5.88
    glycerin 623.34
    diglyme 235.17
    acrylic acid 348.4
    isopropyl myristate 20.84
    n-butyric acid 218.77
    acetyl acetate 86.95
    di(2-ethylhexyl) phthalate 36.02
    ethyl propionate 51.06
    nitromethane 924.94
    1,2-diethoxyethane 56.63
    benzonitrile 87.48
    trioctyl phosphate 22.23
    1-bromopropane 41.66
    gamma-valerolactone 404.58
    n-decanol 25.53
    triethyl phosphate 33.11
    4-methyl-2-pentanol 30.24
    propionitrile 125.63
    vinylene carbonate 183.42
    1,1,2-trichlorotrifluoroethane 414.54
    DMS 71.81
    cumene 15.73
    2-octanol 16.34
    2-hexanone 41.13
    octyl acetate 29.34
    limonene 20.91
    1,2-dimethoxyethane 311.83
    ethyl orthosilicate 29.85
    tributyl phosphate 30.0
    diacetone alcohol 125.9
    N,N-dimethylaniline 69.17
    acrylonitrile 208.97
    aniline 92.66
    1,3-propanediol 453.26
    bromobenzene 31.42
    dibromomethane 115.86
    1,1,2,2-tetrachloroethane 216.07
    2-methyl-cyclohexyl acetate 37.45
    tetrabutyl urea 48.55
    diisobutyl methanol 16.71
    2-phenylethanol 51.57
    styrene 19.62
    dioctyl adipate 45.3
    dimethyl sulfate 170.85
    ethyl butyrate 33.71
    methyl lactate 163.64
    butyl lactate 43.16
    diethyl carbonate 34.93
    propanediol butyl ether 122.26
    triethyl orthoformate 33.14
    p-tert-butyltoluene 14.49
    methyl 4-tert-butylbenzoate 75.7
    morpholine 448.61
    tert-butylamine 124.31
    n-dodecanol 19.95
    dimethoxymethane 283.24
    ethylene carbonate 130.45
    cyrene 144.75
    2-ethoxyethyl acetate 45.81
    2-ethylhexyl acetate 23.01
    1,2,4-trichlorobenzene 75.25
    4-methylpyridine 144.6
    dibutyl ether 27.28
    2,6-dimethyl-4-heptanol 16.71
    DEF 197.21
    dimethyl isosorbide 169.95
    tetrachloroethylene 127.79
    eugenol 85.56
    triacetin 94.91
    span 80 100.15
    1,4-butanediol 160.49
    1,1-dichloroethane 113.15
    2-methyl-1-pentanol 53.76
    methyl formate 381.23
    2-methyl-1-butanol 90.61
    n-decane 3.53
    butyronitrile 108.54
    3,7-dimethyl-1-octanol 37.99
    1-chlorooctane 14.56
    1-chlorotetradecane 7.45
    n-nonane 3.13
    undecane 2.82
    tert-butylcyclohexane 5.28
    cyclooctane 2.9
    cyclopentanol 188.83
    tetrahydropyran 145.91
    tert-amyl methyl ether 55.4
    2,5,8-trioxanonane 204.45
    1-hexene 14.12
    2-isopropoxyethanol 117.51
    2,2,2-trifluoroethanol 371.38
    methyl butyrate 77.96

    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