Product Name

  • Name

    5,5-diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione

  • EINECS
  • CAS No. 5408-18-4
  • Density 0.979 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H24O4
  • Boiling Point 403.1 °C at 760 mmHg
  • Molecular Weight 256.338
  • Flash Point 200.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5408-18-4 (5,5-diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- Specification

The CAS registry number of 1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- is 5408-18-4. This chemical's molecular formula is C14H24O4 and molecular weight is 256.338. What's more, both its IUPAC name and systematic name are the same which is called 5,5-Diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione.

Physical properties about 1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- are: (1)ACD/LogP: 2.82; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6Å2; (7)Index of Refraction: 1.435; (8)Molar Refractivity: 68.3 cm3; (9)Molar Volume: 261.6 cm3; (10)Surface Tension: 28.5 dyne/cm; (11)Density: 0.979 g/cm3; (12)Flash Point: 200.7 °C; (13)Enthalpy of Vaporization: 65.44 kJ/mol; (14)Boiling Point: 403.1 °C at 760 mmHg; (15)Vapour Pressure: 1.04E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(OC(=O)C1(CC)CC)(CCC)CCC
(2) InChI: InChI=1/C14H24O4/c1-5-9-14(10-6-2)17-11(15)13(7-3,8-4)12(16)18-14/h5-10H2,1-4H3
(3) InChIKey: BBMAPDBRAHSYQQ-UHFFFAOYAI

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