Ethyl 2-methylacetoacetate

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  • Identifiers

    CAS number
    609-14-3

    Molecular formula
    C7H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 97.39%
    Green 76.29%
    Apple 68.0%
    Sweet 50.6%
    Tropical 50.57%
    Winey 50.06%
    Pineapple 46.19%
    Ethereal 44.76%
    Caramellic 40.88%
    Berry 38.77%

     

    Flavor
    Fruity 90.73%
    Sweet 40.12%
    Berry 39.0%
    Tropical 38.36%
    Green 37.26%
    Apple 35.31%
    Pineapple 34.94%
    Fatty 34.71%
    Creamy 33.2%
    Cheese 31.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.83 (neutral)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 65.09 ˚C est.

  • Synonyms

    • Ethyl 2-methylacetoacetate
    • 609-14-3
    • Ethyl 2-methyl-3-oxobutanoate
    • Ethyl 2-acetylpropionate
    • Ethyl methylacetoacetate
    • Ethyl-2-methyl acetoacetate
    • Ethyl 2-methyl-3-oxobutyrate
    • Butanoic acid, 2-methyl-3-oxo-, ethyl ester
    • 2-Methylacetoacetic acid ethyl ester
    • Acetoacetic acid, 2-methyl-, ethyl ester
    • MFCD00009164
    • Ethyl .alpha.-acetylpropionate
    • .alpha.-Methylacetoacetic ester
    • 2-methyl-3-oxobutanoic acid ethyl ester
    • Ethyl .alpha.-methylacetoacetate
    • Ethyl .alpha.-methylacetylacetate
    • NSC 1102
    • NE9WOZ20JE
    • MLS002177803
    • DTXSID2033493
    • ethyl-2-methylacetoacetate
    • NSC-1102
    • Ethyl2-methylacetoacetate
    • 2-methyl-3-oxobutyric acid ethyl ester
    • SMR001261797
    • Ethyl alpha-methylacetylacetate
    • UNII-NE9WOZ20JE
    • Ethyl alpha-acetylpropionate
    • alpha-Methylacetoacetic ester
    • EINECS 210-179-9
    • AI3-05606
    • ethyl 2-methylacetoaceate
    • cid_701
    • ethyl 2-methyl-acetoacetate
    • Ethyl 2-methylaceto-acetate
    • ethyl-2-methyl-acetoacetate
    • SCHEMBL41804
    • ethyl-alpha-methylacetoacetate
    • Ethyl2-methyl-3-oxobutanoate
    • CHEMBL31596
    • ethyl 2-methyl-3-oxo-butyrate
    • ETHYL 2-ACETYLPROPANOATE
    • DTXCID0013493
    • 2-methyl acetoacetic ethyl ester
    • BDBM74254
    • NSC1102
    • Ethyl 2-methylacetoacetate, 90%
    • 2-Acetylpropionic Acid Ethyl Ester
    • Tox21_201138
    • STL196835
    • 2-methyl acetoacetic acid ethyl ester
    • AKOS005138021
    • ETHYL 3-OXO-2-METHYLBUTANOATE
    • CS-W004822
    • GS-3290
    • alpha-methylacetoacetic acid ethyl ester
    • 2-Methyl-3-oxo-butyric acid ethyl ester
    • alpha-methyl-acetoacetic acid ethyl ester
    • ethyl 2-methyl-3-oxidanylidene-butanoate
    • NCGC00090968-01
    • NCGC00090968-02
    • NCGC00258690-01
    • 2-methyl-3-oxo-butanoic acid ethyl ester
    • 3-keto-2-methyl-butyric acid ethyl ester
    • BP-31062
    • CAS-609-14-3
    • SY005677
    • ETHYL (+/-)-2-METHYLACETOACETATE
    • Ethyl ester of 2-methyl-3-oxobutanoic acid
    • M0698
    • NS00034495
    • EN300-49163
    • E-8300
    • F11259
    • Q27284827
    • ACETOACETIC ACID, .ALPHA.-METHYL-, ETHYL ESTER
    • F0001-1597
    • Z586248936

  • Applications

    Ethyl 2-methylacetoacetate is a versatile beta-keto ester widely used as an organic synthesis intermediate. It serves as a building block for the preparation of pharmaceutical and agrochemical intermediates via condensation and alkylation chemistry. In the aroma and flavor sectors, it is employed as a precursor to fragrance and flavor compounds, contributing to the formation of carbonyl- and alkyl-functionalized motifs. In cosmetics and personal care, it is commonly used as a fragrance intermediate or scaffold in formulation development. In polymer and materials chemistry, it can function as a functionalized beta-keto ester building block for certain poly(beta-keto ester) polymers and related materials. It also finds use in general industrial synthesis as a versatile precursor for diverse organic compounds, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 696.97
    methanol 995.12
    isopropanol 759.21
    water 20.45
    ethyl acetate 460.76
    n-propanol 591.76
    acetone 801.81
    n-butanol 498.38
    acetonitrile 939.97
    DMF 1237.74
    toluene 255.39
    isobutanol 489.42
    1,4-dioxane 1145.09
    methyl acetate 603.96
    THF 998.83
    2-butanone 594.79
    n-pentanol 386.92
    sec-butanol 696.43
    n-hexane 85.8
    ethylene glycol 226.94
    NMP 1312.48
    cyclohexane 155.95
    DMSO 906.08
    n-butyl acetate 240.96
    n-octanol 247.2
    chloroform 1845.15
    n-propyl acetate 264.46
    acetic acid 985.92
    dichloromethane 1812.87
    cyclohexanone 868.88
    propylene glycol 312.28
    isopropyl acetate 260.99
    DMAc 1192.88
    2-ethoxyethanol 472.52
    isopentanol 406.26
    n-heptane 43.71
    ethyl formate 454.27
    1,2-dichloroethane 832.25
    n-hexanol 332.22
    2-methoxyethanol 844.94
    isobutyl acetate 164.31
    tetrachloromethane 269.26
    n-pentyl acetate 206.89
    transcutol 715.29
    n-heptanol 167.39
    ethylbenzene 211.52
    MIBK 254.9
    2-propoxyethanol 441.46
    tert-butanol 952.2
    MTBE 506.95
    2-butoxyethanol 250.52
    propionic acid 580.28
    o-xylene 257.82
    formic acid 359.32
    diethyl ether 405.7
    m-xylene 211.72
    p-xylene 319.17
    chlorobenzene 446.02
    dimethyl carbonate 202.93
    n-octane 28.62
    formamide 451.62
    cyclopentanone 903.99
    2-pentanone 414.81
    anisole 398.18
    cyclopentyl methyl ether 453.58
    gamma-butyrolactone 1123.26
    1-methoxy-2-propanol 578.06
    pyridine 686.17
    3-pentanone 375.13
    furfural 970.6
    n-dodecane 30.87
    diethylene glycol 387.79
    diisopropyl ether 128.53
    tert-amyl alcohol 769.01
    acetylacetone 514.7
    n-hexadecane 34.12
    acetophenone 392.87
    methyl propionate 428.21
    isopentyl acetate 219.18
    trichloroethylene 1604.82
    n-nonanol 203.27
    cyclohexanol 635.7
    benzyl alcohol 365.43
    2-ethylhexanol 198.68
    isooctanol 144.39
    dipropyl ether 166.04
    1,2-dichlorobenzene 444.58
    ethyl lactate 199.21
    propylene carbonate 592.44
    n-methylformamide 668.7
    2-pentanol 385.27
    n-pentane 80.73
    1-propoxy-2-propanol 290.87
    1-methoxy-2-propyl acetate 243.29
    2-(2-methoxypropoxy) propanol 291.91
    mesitylene 146.94
    ε-caprolactone 701.83
    p-cymene 123.09
    epichlorohydrin 961.82
    1,1,1-trichloroethane 871.78
    2-aminoethanol 380.59
    morpholine-4-carbaldehyde 1032.67
    sulfolane 1248.09
    2,2,4-trimethylpentane 58.91
    2-methyltetrahydrofuran 766.0
    n-hexyl acetate 355.32
    isooctane 34.25
    2-(2-butoxyethoxy)ethanol 326.48
    sec-butyl acetate 186.94
    tert-butyl acetate 291.7
    decalin 83.46
    glycerin 367.72
    diglyme 592.06
    acrylic acid 554.3
    isopropyl myristate 143.02
    n-butyric acid 584.77
    acetyl acetate 367.63
    di(2-ethylhexyl) phthalate 149.35
    ethyl propionate 285.33
    nitromethane 1345.8
    1,2-diethoxyethane 274.63
    benzonitrile 540.1
    trioctyl phosphate 113.86
    1-bromopropane 488.43
    gamma-valerolactone 1064.6
    n-decanol 148.33
    triethyl phosphate 150.69
    4-methyl-2-pentanol 206.66
    propionitrile 601.31
    vinylene carbonate 630.43
    1,1,2-trichlorotrifluoroethane 746.49
    DMS 273.17
    cumene 164.2
    2-octanol 158.46
    2-hexanone 300.94
    octyl acetate 187.45
    limonene 180.05
    1,2-dimethoxyethane 819.04
    ethyl orthosilicate 133.26
    tributyl phosphate 136.67
    diacetone alcohol 383.72
    N,N-dimethylaniline 309.84
    acrylonitrile 781.74
    aniline 373.62
    1,3-propanediol 496.65
    bromobenzene 457.89
    dibromomethane 1099.76
    1,1,2,2-tetrachloroethane 1245.09
    2-methyl-cyclohexyl acetate 218.71
    tetrabutyl urea 189.92
    diisobutyl methanol 116.33
    2-phenylethanol 280.69
    styrene 259.73
    dioctyl adipate 207.85
    dimethyl sulfate 357.22
    ethyl butyrate 243.23
    methyl lactate 277.41
    butyl lactate 179.3
    diethyl carbonate 193.36
    propanediol butyl ether 281.28
    triethyl orthoformate 169.15
    p-tert-butyltoluene 117.51
    methyl 4-tert-butylbenzoate 303.43
    morpholine 1045.62
    tert-butylamine 577.05
    n-dodecanol 114.09
    dimethoxymethane 541.54
    ethylene carbonate 476.97
    cyrene 353.37
    2-ethoxyethyl acetate 244.58
    2-ethylhexyl acetate 172.7
    1,2,4-trichlorobenzene 535.74
    4-methylpyridine 755.77
    dibutyl ether 207.99
    2,6-dimethyl-4-heptanol 116.33
    DEF 606.44
    dimethyl isosorbide 458.49
    tetrachloroethylene 757.58
    eugenol 292.59
    triacetin 330.54
    span 80 263.86
    1,4-butanediol 260.32
    1,1-dichloroethane 926.83
    2-methyl-1-pentanol 358.94
    methyl formate 562.8
    2-methyl-1-butanol 443.03
    n-decane 46.43
    butyronitrile 552.04
    3,7-dimethyl-1-octanol 210.46
    1-chlorooctane 165.32
    1-chlorotetradecane 73.01
    n-nonane 46.47
    undecane 36.5
    tert-butylcyclohexane 75.09
    cyclooctane 42.4
    cyclopentanol 708.54
    tetrahydropyran 805.22
    tert-amyl methyl ether 389.94
    2,5,8-trioxanonane 449.53
    1-hexene 241.74
    2-isopropoxyethanol 330.54
    2,2,2-trifluoroethanol 341.08
    methyl butyrate 398.49

    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