Grundinformationen
- Standard-SMILES
COC(=O)C(OC)C(=O)OC- InChIKey
ORXJMBXYSGGCHG-UHFFFAOYSA-N- Summenformel
- C6H10O5
- Durchschnittliche Molmasse
- 162,14 g/mol
- Monoisotopische Masse
- 162,05282342
Namen und Bezeichner
- Bevorzugter Name
- Dimethyl methoxymalonate
- IUPAC
- dimethyl 2-methoxypropanedioate
- Lokaler Name
- Dimethylmethoxymalonat
- Englischer Name
- DIMETHYL METHOXYMALONATE
- Summenformel
- C6H10O5
- Molmasse
- 162.14
Namen und Synonyme
Dimethyl methoxymalonate5018-30-41,3-dimethyl 2-methoxypropanedioatePropanedioic acid, methoxy-, dimethyl esterDTXSID70198226EINECS 225-697-0RefChem:588283DTXCID00120717225-697-0Dimethyl 2-methoxymalonateMethoxymalonic acid dimethyl esterdimethyl 2-methoxypropanedioate
Weitere Namen anzeigen
DimethyltartronateTrimethyl tartronateDimethylmethoxymalonate99%DimethylMethoxymalonate>Dimethylmethoxymalonate,98%Methoxymalonsαuredimethylester2-Methoxy-malonicaciddimethylester
MFCD00009847C6H10O5dimethyl methoxypropanedioateDimethyl 2-methoxymalonate #STR03015STK802335SY048618CS-0107641
Datenbank-Bezeichner
- CAS
5018-30-4- PubChem CID
- 78718
- DTXSID
DTXSID70198226- EC Number
- 225-697-0
- Nikkaji
- J150.096A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 61,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 137
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Physikochemische Eigenschaften
- Schmelzpunkt
- 11 · 11-12 °C
- Siedepunkt
- 96 · 96-97 °C (8.3 mmHg)
- Dichte
- 1.18 · 1.18
- Brechungsindex
- 1.4225 · 1.4225-1.4245
- Flammpunkt
- 105 °C · 105 °C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.05 · 13.05±0.46(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- BRN
- 1772841 · 1772841
- InChI
- InChI=1S/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3
- InChIKey
- ORXJMBXYSGGCHG-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(OC)C(OC)=O
- CAS Datenbank
- 5018 · 5018-30-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPropanedioic acid, methoxy-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 29189990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
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