Product Name

  • Name

    diethyl tetrahydrofurfurylmalonate

  • EINECS 253-357-1
  • CAS No. 37136-39-3
  • Article Data11
  • CAS DataBase
  • Density 1.091 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H20O5
  • Boiling Point 304.6 °C at 760 mmHg
  • Molecular Weight 244.288
  • Flash Point 129.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 37136-39-3 (diethyl tetrahydrofurfurylmalonate)
  • Hazard Symbols
  • Synonyms Propanedioicacid, [(tetrahydro-2-furanyl)methyl]-, diethyl ester (9CI);Diethyl tetrahydrofurfurylmalonate;Ethyl 2-tetrahydrofurylmethylmalonate;diethyl (tetrahydrofuran-2-ylmethyl)propanedioate;diethyl 2-(oxolan-2-ylmethyl)propanedioate;Diethyl (tetrahydrofuran-2-ylmethyl)malonate;propanedioic acid, 2-[(tetrahydro-2-furanyl)methyl]-, diethyl ester;
  • PSA 61.83000
  • LogP 1.29790

Propanedioic acid,2-[(tetrahydro-2-furanyl)methyl]-, 1,3-diethyl ester Specification

The Propanedioic acid,2-[(tetrahydro-2-furanyl)methyl]-, 1,3-diethyl ester, with the CAS registry number 37136-39-3 and EINECS registry number 253-357-1, has the systematic name of diethyl (tetrahydrofuran-2-ylmethyl)propanedioate. And the molecular formula of the chemical is C12H20O5.

The characteristics of Propanedioic acid,2-[(tetrahydro-2-furanyl)methyl]-, 1,3-diethyl ester are as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.63; (6)ACD/BCF (pH 7.4): 4.63; (7)ACD/KOC (pH 5.5): 104.31; (8)ACD/KOC (pH 7.4): 104.31; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 60.68 cm3; (15)Molar Volume: 223.7 cm3; (16)Polarizability: 24.05×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.091 g/cm3; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 54.5 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000867 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)CC1OCCC1
(2)InChI: InChI=1/C12H20O5/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h9-10H,3-8H2,1-2H3
(3)InChIKey: DNNUDKVYVAZVKN-UHFFFAOYAS

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