Product Name

  • Name

    2,2'-Methylenebis(5,5-dimethylcyclohexane-1,3-dione)

  • EINECS
  • CAS No. 2181-22-8
  • Article Data18
  • CAS DataBase
  • Density 1.085 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H24O4
  • Boiling Point 453.8 °C at 760 mmHg
  • Molecular Weight 292.375
  • Flash Point 195.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 2181-22-8 (2,2'-Methylenebis(5,5-dimethylcyclohexane-1,3-dione))
  • Hazard Symbols
  • Synonyms 5,5-Dimethyl-1, 3-cyclohexanedione formaldehyde deriv;1,3-Cyclohexanedione, 2, 2-methylenebis[5,5-dimethyl-;2,2-Methylenebis[5, 5-dimethyl-1,3-cyclohexanedione];2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione;
  • PSA 68.28000
  • LogP 2.52530

Formaldehyde, dimedon deriv. Specification

The CAS register number of Formaldehyde, dimedon deriv. is 2181-22-8. It also can be called as 5,5-Dimethyl-1, 3-cyclohexanedione formaldehyde deriv and the IUPAC name about this chemical is 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione. The molecular formula about this chemical is C17H24O4 and the molecular weight is 292.37516.

Physical properties about Formaldehyde, dimedon deriv. are: (1)ACD/LogP: 1.18; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 68.28 Å2; (5)Index of Refraction: 1.485; (6)Molar Refractivity: 77.19 cm3; (7)Molar Volume: 269.3 cm3; (8)Polarizability: 30.6x10-24cm3; (9)Surface Tension: 36.3 dyne/cm; (10)Density: 1.085 g/cm3; (11)Flash Point: 195.4 °C; (12)Enthalpy of Vaporization: 71.33 kJ/mol; (13)Boiling Point: 453.8 °C at 760 mmHg; (14)Vapour Pressure: 2E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(C(=O)CC(C)(C)C1)CC2C(=O)CC(C)(C)CC2=O
(2)InChI: InChI=1/C17H24O4/c1-16(2)6-12(18)10(13(19)7-16)5-11-14(20)8-17(3,4)9-15(11)21/h10-11H,5-9H2,1-4H3
(3)InChIKey: JSCUZLUQVFQIII-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C17H24O4/c1-16(2)6-12(18)10(13(19)7-16)5-11-14(20)8-17(3,4)9-15(11)21/h10-11H,5-9H2,1-4H3
(5)Std. InChIKey: JSCUZLUQVFQIII-UHFFFAOYSA-N

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