Methoxy(oxo)acetate
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Identifiers
Molecular formula
C3H3O4-SMILES
COC(=O)C(=O)[O-]
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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
0.2pKa est.
3.04 (weak acid)Molecular weight
103.05 g/molFlash point
- 37.37 ˚C est.
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Synonyms
- methoxy(oxo)acetate
- 2-Methoxy-2-oxoacetate
- DTXSID40620185
- DTXCID40570939
- CPKISUMKCULUNR-UHFFFAOYSA-M
- STL305271
- AKOS015997597
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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
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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
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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 |