Grundinformationen
- Standard-SMILES
COCC(=O)CC(=O)OC- InChIKey
QGBPKJFJAVDUNC-UHFFFAOYSA-N- Summenformel
- C6H10O4
- Durchschnittliche Molmasse
- 146,14 g/mol
- Monoisotopische Masse
- 146,0579088
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-methoxyacetoacetate
- IUPAC
- methyl 4-methoxy-3-oxobutanoate
- Lokaler Name
- Methyl-4-methoxy-3-oxobutyrat
- Englischer Name
- Methyl 4-methoxyacetoacetate
- Summenformel
- C6H10O4
- Molmasse
- 146.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
41051-15-4- PubChem CID
- 123500
- DTXSID
DTXSID1068273- EC Number
- 255-188-9
- Nikkaji
- J256.618D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 130
Physikochemische Eigenschaften
- Schmelzpunkt
- -80 ℃ · -80℃
- Siedepunkt
- 89 °C/8.5 · 89 °C/8.5 mmHg (lit.)
- Dichte
- 1.129 g/mL · 1.129 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.431(lit.)
- Flammpunkt
- 193 °F · 193 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 9.88 · 9.88±0.46(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 1.129 · 1.129
- BRN
- 1761215 · 1761215
- InChI
- 1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3
- InChIKey
- QGBPKJFJAVDUNC-UHFFFAOYSA-N
- SMILES
- COCC(=O)CC(=O)OC
- LogP
- 0.34 · 0.340 (est)
- CAS Datenbank
- 41051 · 41051-15-4(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Methyl 4-methoxyacetoacetate(41051-15-4)
- EPA chemische Informationen
- 4 · Methyl 4-methoxyacetoacetate (41051-15-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenMethyl 4-Methoxyacetoacetate is a reactant in the formation of an abiotic poorphyrinogen in aqueous solution.
Darstellung
synthetischeThe preparation method of a 4-methoxyl group methyl acetoacetate: add solvents tetrahydrofurane in a kettle. and pass into rare gas element, the temperature in the kettle arranging reactor is 15-25℃, industrial sodium hydride and metal alkaline compound is added under whipped state, add solvents tetrahydrofurane again, the mixed solution reaction 4-6h of methyl alcohol and 4-chloro methyl acetoacetate is dripped in less than 20℃, then be warming up to 20-25℃ and continue reaction 4-15h, TLC detection reaction is complete, reduce system temperature to 6-10℃, add the hydrochloric acid soln regulation system pH=5-7 that volumetric molar concentration is 2mol/L, stratification, after separatory, upper strata is concentrated is spin-dried for removing solvents tetrahydrofurane, then colorless product 4-methoxyl group methyl acetoacetate is obtained by wiped film molecular distillation.
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