Product Name

  • Name

    3-Pentanone, 2-(1,3-dioxolan-2-ylidene)-

  • EINECS
  • CAS No. 5418-50-8
  • Density 1.093 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H12O3
  • Boiling Point 241.9 °C at 760 mmHg
  • Molecular Weight 156.181
  • Flash Point 90.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5418-50-8 (3-Pentanone,  2-(1,3-dioxolan-2-ylidene)-)
  • Hazard Symbols
  • Synonyms 2-(1,3-Dioxolan-2-ylidene)pentan-3-one;
  • PSA 35.53000
  • LogP 1.24380

3-Pentanone,2-(1,3-dioxolan-2-ylidene)- Specification

The 3-Pentanone,2-(1,3-dioxolan-2-ylidene)-, with the CAS registry number 5418-50-8, is also known as 2-(1,3-Dioxolan-2-ylidene)pentan-3-one. This chemical's molecular formula is C8H12O3 and molecular weight is 156.1791. What's more, its systematic name is called 2-(1,3-Dioxolan-2-ylidene)pentan-3-one.

Physical properties about 3-Pentanone,2-(1,3-dioxolan-2-ylidene)- are: (1)ACD/LogP: 0.75; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 39.81 cm3; (9)Molar Volume: 142.8 cm3; (10)Polarizability: 15.78×10-24 cm3; (11)Surface Tension: 34.7 dyne/cm; (12)Density: 1.093 g/cm3; (13)Flash Point: 90.5 °C; (14)Enthalpy of Vaporization: 47.88 kJ/mol; (15)Boiling Point: 241.9 °C at 760 mmHg; (16)Vapour Pressure: 0.035 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C(=C1/OCCO1)C)CC
(2) InChI: InChI=1/C8H12O3/c1-3-7(9)6(2)8-10-4-5-11-8/h3-5H2,1-2H3
(3) InChIKey: QZMMFLPDZAJDSR-UHFFFAOYAK

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