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Name |
Diethyl isopropylidenemalonate |
EINECS | 229-876-4 |
CAS No. | 6802-75-1 | Density | 1.033 g/cm3 |
PSA | 52.60000 | LogP | 1.44900 |
Solubility | N/A | Melting Point |
93-94 °C |
Formula | C10H16O4 | Boiling Point | 242.8 °C at 760 mmHg |
Molecular Weight | 200.235 | Flash Point | 96.4 °C |
Transport Information | N/A | Appearance | colorless or light yellow liquid |
Safety | 23-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Malonicacid, isopropylidene-, diethyl ester (6CI,7CI,8CI);Propanedioic acid,(1-methylethylidene)-, diethyl ester (9CI);Diethyl2-(1-methylethylidene)malonate;Diethyl 2-(1-methylethylidene)propanedioate;Diethyl isopropylidenemalonate;NSC 127864;NSC 408244; |
Article Data | 31 |
Molecule structure of Propanedioic acid,2-(1-methylethylidene)-, 1,3-diethyl ester (CAS NO. 6802-75-1):
IUPAC Name: Diethyl 2-propan-2-ylidenepropanedioate
Molecular Weight: 200.23164 [g/mol]
Molecular Formula: C10H16O4
XLogP3-AA: 2.4
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 200.104859
MonoIsotopic Mass: 200.104859
Topological Polar Surface Area: 52.6
Heavy Atom Count: 14
Index of Refraction: 1.445
Molar Refractivity: 51.67 cm3
Molar Volume: 193.7 cm3
Surface Tension: 31.4 dyne/cm
Density: 1.033 g/cm3
Flash Point: 96.4 °C
Enthalpy of Vaporization: 47.98 kJ/mol
Boiling Point: 242.8 °C at 760 mmHg
Vapour Pressure: 0.0334 mmHg at 25 °C
Canonical SMILES: CCOC(=O)C(=C(C)C)C(=O)OCC
InChI: InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3
InChIKey: WEISAZNMMVPNTH-UHFFFAOYSA-N
EINECS: 229-876-4
Product Categories: TheMalonateRamificationProducts; Aliphatics; Esters; C10 to C11; Carbonyl Compounds
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Propanedioic acid,2-(1-methylethylidene)-, 1,3-diethyl ester (CAS NO. 6802-75-1) is also called Diethyl isopropylidenemalonate ; Propanedioic acid, (1-methylethylidene)-, diethyl ester ; Malonic acid, isopropylidene-, diethyl ester ; Propanedioic acid, 2-(1-methylethylidene)-, diethyl ester ; 1,2-O-Isopropylidene-3-O-methyl-α-D-xylopentodialdofuranose-(1,4) ; Diethyl 2-(1-methylethylidene)malonate . Propanedioic acid,2-(1-methylethylidene)-, 1,3-diethyl ester (CAS NO. 6802-75-1) is clear colorless to light yellow liquid.