Methoxy(oxo)acetate

  • Identifiers

    Molecular formula
    C3H3O4-

    SMILES
    COC(=O)C(=O)[O-]

  • Odor profile

    Fragrance
    Caramellic 67.04%
    Fruity 48.0%
    Burnt 45.0%
    Sweet 41.89%
    Winey 38.95%
    Sour 36.8%
    Buttery 36.17%
    Odorless 33.09%
    Ethereal 32.36%
    Sharp 31.15%

     

    Flavor
    Fruity 44.12%
    Creamy 33.15%
    Caramel 33.05%
    Buttery 32.67%
    Odorless 28.26%
    Caramellic 27.75%
    Very mild 27.04%
    Sour 26.09%
    Brown 23.67%
    Nutty 22.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    3.04 (weak acid)

    Molecular weight
    103.05 g/mol

    Flash point

    • 37.37 ˚C est.

  • Synonyms

    • methoxy(oxo)acetate
    • 2-Methoxy-2-oxoacetate
    • DTXSID40620185
    • DTXCID40570939
    • CPKISUMKCULUNR-UHFFFAOYSA-M
    • STL305271
    • AKOS015997597
  • Applications

    Methoxy(oxo)acetate is commonly used as an organic synthesis intermediate, serving as a building block for ester and ether derivatives and as a precursor to specialty chemicals, including potential pharmaceutical and agrochemical intermediates. In industrial manufacturing it may function as a solvent or co-solvent in coatings, inks, adhesives, and cleaning formulations. It can also act as a processing additive or plasticizer in polymers and plastics to modify rheology and compatibility. In cosmetics and personal care contexts it may be used as a solvent or processing aid in formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.98
    methanol 129.38
    isopropanol 27.77
    water 10.23
    ethyl acetate 32.77
    n-propanol 33.26
    acetone 66.99
    n-butanol 28.55
    acetonitrile 38.52
    DMF 266.99
    toluene 3.94
    isobutanol 16.06
    1,4-dioxane 52.39
    methyl acetate 55.36
    THF 54.22
    2-butanone 41.41
    n-pentanol 20.6
    sec-butanol 23.52
    n-hexane 1.49
    ethylene glycol 84.4
    NMP 235.95
    cyclohexane 2.17
    DMSO 481.17
    n-butyl acetate 17.19
    n-octanol 17.57
    chloroform 23.84
    n-propyl acetate 16.16
    acetic acid 97.78
    dichloromethane 48.37
    cyclohexanone 39.34
    propylene glycol 36.97
    isopropyl acetate 13.86
    DMAc 174.32
    2-ethoxyethanol 103.84
    isopentanol 19.87
    n-heptane 2.48
    ethyl formate 47.66
    1,2-dichloroethane 47.05
    n-hexanol 19.54
    2-methoxyethanol 224.14
    isobutyl acetate 4.92
    tetrachloromethane 5.38
    n-pentyl acetate 18.49
    transcutol 194.66
    n-heptanol 15.98
    ethylbenzene 3.81
    MIBK 15.77
    2-propoxyethanol 64.05
    tert-butanol 33.95
    MTBE 16.89
    2-butoxyethanol 45.31
    propionic acid 47.78
    o-xylene 6.13
    formic acid 221.74
    diethyl ether 23.35
    m-xylene 4.67
    p-xylene 4.06
    chlorobenzene 9.68
    dimethyl carbonate 33.07
    n-octane 1.54
    formamide 342.69
    cyclopentanone 47.26
    2-pentanone 31.68
    anisole 15.54
    cyclopentyl methyl ether 19.89
    gamma-butyrolactone 85.19
    1-methoxy-2-propanol 105.74
    pyridine 36.76
    3-pentanone 24.46
    furfural 125.96
    n-dodecane 1.36
    diethylene glycol 109.01
    diisopropyl ether 5.28
    tert-amyl alcohol 29.44
    acetylacetone 47.0
    n-hexadecane 1.48
    acetophenone 23.63
    methyl propionate 44.86
    isopentyl acetate 12.78
    trichloroethylene 64.41
    n-nonanol 15.88
    cyclohexanol 18.54
    benzyl alcohol 23.39
    2-ethylhexanol 11.8
    isooctanol 11.71
    dipropyl ether 10.26
    1,2-dichlorobenzene 16.13
    ethyl lactate 23.57
    propylene carbonate 34.88
    n-methylformamide 177.45
    2-pentanol 18.0
    n-pentane 2.21
    1-propoxy-2-propanol 38.55
    1-methoxy-2-propyl acetate 27.87
    2-(2-methoxypropoxy) propanol 52.47
    mesitylene 4.22
    ε-caprolactone 44.99
    p-cymene 5.9
    epichlorohydrin 88.19
    1,1,1-trichloroethane 13.16
    2-aminoethanol 76.03
    morpholine-4-carbaldehyde 186.75
    sulfolane 177.44
    2,2,4-trimethylpentane 1.34
    2-methyltetrahydrofuran 33.1
    n-hexyl acetate 25.58
    isooctane 0.92
    2-(2-butoxyethoxy)ethanol 74.13
    sec-butyl acetate 7.6
    tert-butyl acetate 18.21
    decalin 1.46
    glycerin 98.32
    diglyme 125.08
    acrylic acid 72.94
    isopropyl myristate 9.97
    n-butyric acid 39.95
    acetyl acetate 19.68
    di(2-ethylhexyl) phthalate 13.22
    ethyl propionate 17.68
    nitromethane 251.75
    1,2-diethoxyethane 34.54
    benzonitrile 20.08
    trioctyl phosphate 10.98
    1-bromopropane 14.02
    gamma-valerolactone 108.72
    n-decanol 12.39
    triethyl phosphate 12.86
    4-methyl-2-pentanol 9.9
    propionitrile 21.78
    vinylene carbonate 40.74
    1,1,2-trichlorotrifluoroethane 122.21
    DMS 28.37
    cumene 3.61
    2-octanol 11.77
    2-hexanone 17.34
    octyl acetate 15.12
    limonene 9.22
    1,2-dimethoxyethane 102.13
    ethyl orthosilicate 10.89
    tributyl phosphate 12.04
    diacetone alcohol 50.2
    N,N-dimethylaniline 17.54
    acrylonitrile 47.78
    aniline 15.65
    1,3-propanediol 90.87
    bromobenzene 7.4
    dibromomethane 24.69
    1,1,2,2-tetrachloroethane 51.76
    2-methyl-cyclohexyl acetate 12.52
    tetrabutyl urea 21.74
    diisobutyl methanol 8.35
    2-phenylethanol 22.97
    styrene 4.9
    dioctyl adipate 18.17
    dimethyl sulfate 94.9
    ethyl butyrate 13.85
    methyl lactate 55.71
    butyl lactate 24.12
    diethyl carbonate 10.92
    propanediol butyl ether 52.63
    triethyl orthoformate 11.9
    p-tert-butyltoluene 6.26
    methyl 4-tert-butylbenzoate 35.77
    morpholine 69.28
    tert-butylamine 15.66
    n-dodecanol 9.43
    dimethoxymethane 104.02
    ethylene carbonate 26.45
    cyrene 48.96
    2-ethoxyethyl acetate 35.82
    2-ethylhexyl acetate 9.62
    1,2,4-trichlorobenzene 22.17
    4-methylpyridine 28.94
    dibutyl ether 12.68
    2,6-dimethyl-4-heptanol 8.35
    DEF 77.22
    dimethyl isosorbide 68.29
    tetrachloroethylene 45.01
    eugenol 40.91
    triacetin 32.07
    span 80 37.65
    1,4-butanediol 37.53
    1,1-dichloroethane 16.72
    2-methyl-1-pentanol 16.13
    methyl formate 133.05
    2-methyl-1-butanol 17.68
    n-decane 2.06
    butyronitrile 18.53
    3,7-dimethyl-1-octanol 13.84
    1-chlorooctane 7.72
    1-chlorotetradecane 3.65
    n-nonane 2.0
    undecane 1.66
    tert-butylcyclohexane 1.24
    cyclooctane 1.17
    cyclopentanol 21.42
    tetrahydropyran 20.27
    tert-amyl methyl ether 18.56
    2,5,8-trioxanonane 97.52
    1-hexene 4.43
    2-isopropoxyethanol 44.13
    2,2,2-trifluoroethanol 66.02
    methyl butyrate 26.57

    Scent© AI

1 of 4
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