Product Name

  • Name

    Diethyl isopropylidenemalonate

  • EINECS 229-876-4
  • CAS No. 6802-75-1
  • Article Data31
  • CAS DataBase
  • Density 1.033 g/cm3
  • Solubility
  • 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
  • Appearance colorless or light yellow liquid
  • Safety 23-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 6802-75-1 (Diethyl isopropylidenemalonate)
  • Hazard Symbols
  • 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;
  • PSA 52.60000
  • LogP 1.44900

Diethyl isopropylidenemalonate Chemical Properties

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

Diethyl isopropylidenemalonate Safety Profile

Safety Statements: 23-24/25
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Diethyl isopropylidenemalonate Specification

 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.

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