1,3-Dioxane,2,4,6-trimethyl-4-phenyl- supplier

Name
FLOROPAL
EINECS 225-963-6
CAS No. 5182-36-5
Article Data6
CAS DataBase
Density 0.977 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₂
Boiling Point 278.7 °C at 760 mmHg
Molecular Weight 206.285
Flash Point 128.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Phenyl-2,4,6-trimethyl-1,3-dioxane;
PSA 67.63000
LogP 2.56078

1,3-Dioxane,2,4,6-trimethyl-4-phenyl- Specification

The 1,3-Dioxane,2,4,6-trimethyl-4-phenyl-, with the CAS registry number 5182-36-5, is also known as 4-Phenyl-2,4,6-trimethyl-1,3-dioxane. Its EINECS registry number is 225-963-6. This chemical's molecular formula is C₁₃H₁₈O₂ and molecular weight is 206.2808. What's more, its IUPAC name is 2,4,6-Trimethyl-4-phenyl-1,3-dioxane.

Physical properties about 1,3-Dioxane,2,4,6-trimethyl-4-phenyl- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.28; (6)ACD/BCF (pH 7.4): 139.28; (7)ACD/KOC (pH 5.5): 1191.78; (8)ACD/KOC (pH 7.4): 1191.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 60.13 cm³; (15)Molar Volume: 211.1 cm³; (16)Polarizability: 23.83×10^-24 cm³; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.977 g/cm³; (19)Flash Point: 128.3 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00709 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C)CC(OC1C)(c2ccccc2)C
(2) InChI: InChI=1/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
(3) InChIKey: IEZPIUQRQRWIFE-UHFFFAOYAA

Product Name

FLOROPAL

1,3-Dioxane,2,4,6-trimethyl-4-phenyl- Specification

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