1,3,5-Trioxane,2,4,6-trinonyl- supplier

Name
2,4,6-trinonyl-1,3,5-trioxane
EINECS
CAS No. 6624-05-1
Article Data7
CAS DataBase
Density 0.869 g/cm³
Solubility
Melting Point
Formula C₃₀H₆₀O₃
Boiling Point 524.5 °C at 760 mmHg
Molecular Weight 468.805
Flash Point 180.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Trioxane,2,4,6-trinonyl- (8CI);2,4,6-Trinonyl-1,3,5-trioxane;2,4,6-Trinonyl-s-trioxane;NSC 55219;
PSA
LogP

1,3,5-Trioxane,2,4,6-trinonyl- Specification

The 1,3,5-Trioxane,2,4,6-trinonyl-, with the CAS registry number 6624-05-1, is also known as 2,4,6-Trinonyl-s-trioxane. This chemical's molecular formula is C₃₀H₆₀O₃ and molecular weight is 468.80. What's more, its systematic name is 2,4,6-Trinonyl-1,3,5-trioxane.

Physical properties of 1,3,5-Trioxane,2,4,6-trinonyl- are: (1)ACD/LogP: 13.61; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 24; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 143.92 cm³; (9)Molar Volume: 538.9 cm³; (10)Polarizability: 57.05×10^-24cm³; (11)Surface Tension: 31.9 dyne/cm; (12)Density: 0.869 g/cm³; (13)Flash Point: 180.6 °C; (14)Enthalpy of Vaporization: 76.84 kJ/mol; (15)Boiling Point: 524.5 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCC1OC(OC(O1)CCCCCCCCC)CCCCCCCCC
(2)InChI: InChI=1S/C30H60O3/c1-4-7-10-13-16-19-22-25-28-31-29(26-23-20-17-14-11-8-5-2)33-30(32-28)27-24-21-18-15-12-9-6-3/h28-30H,4-27H2,1-3H3
(3)InChIKey: FJDKHMPCIIRUHO-UHFFFAOYSA-N

Product Name

2,4,6-trinonyl-1,3,5-trioxane

1,3,5-Trioxane,2,4,6-trinonyl- Specification

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