Product Name

  • Name

    DIDODECYL MALONATE

  • EINECS
  • CAS No. 26720-22-9
  • Article Data3
  • CAS DataBase
  • Density 0.916 g/cm3
  • Solubility
  • Melting Point 33-34 °C
  • Formula C27H52O4
  • Boiling Point 452.522 °C at 760 mmHg
  • Molecular Weight 440.707
  • Flash Point 203.201 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 26720-22-9 (DIDODECYL MALONATE)
  • Hazard Symbols
  • Synonyms Didodecyl malonate;Malonicacid, didodecyl ester (6CI,8CI);Propanedioic acid, didodecyl ester (9CI);
  • PSA 52.60000
  • LogP 8.30470

Propanedioic acid,1,3-didodecyl ester Specification

The CAS registry number of Propanedioic acid,1,3-didodecyl ester is 26720-22-9.This chemical is also named as Didodecyl malonate. In addition, its molecular formula is C27H52O4 and molecular weight is 440.7. Its systematic name is called didodecyl propanedioate.

Physical properties about Propanedioic acid,1,3-didodecyl ester are: (1)ACD/LogP: 11.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 26; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 130.686 cm3; (14)Molar Volume: 481.182 cm3; (15)Surface Tension: 33.289 dyne/cm; (16)Density: 0.916 g/cm3; (17)Flash Point: 203.201 °C; (18)Enthalpy of Vaporization: 71.176 kJ/mol; (19)Boiling Point: 452.522 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by malonyl dichloride and dodecan-1-ol. This reaction will need reagent triethylamine and solvent diethyl ether. The reaction temperature is 20 °C. The yield is about 36 %.

Propanedioic acid,1,3-didodecyl ester can be prepared by malonyl dichloride and dodecan-1-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCC
(2)InChI: InChI=1/C27H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-30-26(28)25-27(29)31-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
(3)InChIKey: LKNAVAQNRCASPT-UHFFFAOYAU

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