Dimethylmethylmalonat

Dimethyl methylmalonate

HCID 69104CAS 609-02-9

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Grundinformationen

Standard-SMILES: COC(=O)C(C)C(=O)OC
InChIKey: LRBPFPZTIZSOGG-UHFFFAOYSA-N
Summenformel: C6H10O4
Durchschnittliche Molmasse: 146,14 g/mol
Monoisotopische Masse: 146,0579088

Namen und Bezeichner

Bevorzugter Name: Dimethyl methylmalonate
IUPAC: dimethyl 2-methylpropanedioate
Lokaler Name: Dimethylmethylmalonat
Englischer Name: Dimethyl methylmalonate
Summenformel: C6H10O4
Molmasse: 146.14

Namen und Synonyme

Dimethyl methylmalonate609-02-9Dimethyl 2-methylmalonatedimethyl 2-methylpropanedioatePropanedioic acid, methyl-, dimethyl ester1,3-dimethyl 2-methylpropanedioateMalonic acid, methyl-, dimethyl esterZG8ZA68IB3EINECS 210-173-6UNII-ZG8ZA68IB3NSC 143779NSC-143779

Weitere Namen anzeigen

Dimethyl isosuccinateEthylidenebis(formic acid methyl) esterIsosuccinic acid dimethylMethylmalonic acid dimethylDimethyl Methylmalonate,>98%imethyl2-methylpropanedioate

Propanedioic acid, 2-methyl-, 1,3-dimethyl esterDTXSID5060564METHYLPROPANEDIOIC ACID DIMETHYL ESTERPropanedioic acid, 2-methyl-, dimethyl esterRefChem:134255DTXCID3042897Malonic acid, methyl-, dimethyl ester (8CI)210-173-6

Datenbank-Bezeichner

CAS: 609-02-9
PubChem CID: 69104
DTXSID: DTXSID5060564
UNII: ZG8ZA68IB3
EC Number: 210-173-6
Nikkaji: J45.105C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 125

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Siedepunkt: 176 · 176-177 °C(lit.)
Dichte: 1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
Dampfdruck: 0.2 mm · 0.2 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.414(lit.)
Flammpunkt: 169 °F · 169 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: liquid
pka: 13.08 · 13.08±0.46(Predicted)
Wichte: 1.1 · approximate 1.10 (20℃)
Farbe: Colourless
InChI: InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3
InChIKey: LRBPFPZTIZSOGG-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(C)C(OC)=O
CAS Datenbank: 609 · 609-02-9(CAS DataBase Reference)
NIST chemische Informationen: Propanedioic acid, methyl-, dimethyl ester(609-02-9)
EPA chemische Informationen: Propanedioic acid, methyl-, dimethyl ester (609-02-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2917198090
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanedioic acid, 2-methyl-, 1,3-dimethyl ester: INACTIVE

Anwendungen

VerwendenDimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.