1,3-Dioxolane,2-hexyl-2,4-dimethyl- supplier

Name
2-hexyl-2,4-dimethyl-1,3-dioxolane
EINECS 226-747-4
CAS No. 5461-65-4
Density 0.875 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂O₂
Boiling Point 207.3 °C at 760 mmHg
Molecular Weight 186.294
Flash Point 75 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-hexyl-2,4-dimethyl-1,3-dioxolane
PSA 18.46000
LogP 3.10830

1,3-Dioxolane,2-hexyl-2,4-dimethyl- Specification

The CAS registry number of 1,3-Dioxolane,2-hexyl-2,4-dimethyl- is 5461-65-4. Its EINECS registry number is 226-747-4. This chemical's molecular formula is C₁₁H₂₂O₂ and molecular weight is 186.2912. What's more, its IUPAC name is 2-Hexyl-2,4-dimethyl-1,3-dioxolane.

Physical properties about 1,3-Dioxolane,2-hexyl-2,4-dimethyl- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.52; (6)ACD/BCF (pH 7.4): 249.52; (7)ACD/KOC (pH 5.5): 1809.07; (8)ACD/KOC (pH 7.4): 1809.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 54.22 cm³; (15)Molar Volume: 212.8 cm³; (16)Polarizability: 21.49×10^-24 cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.875 g/cm³; (19)Flash Point: 75 °C; (20)Enthalpy of Vaporization: 42.54 kJ/mol; (21)Boiling Point: 207.3 °C at 760 mmHg; (22)Vapour Pressure: 0.327 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1CC(OC1(CCCCCC)C)C
(2) InChI: InChI=1/C11H22O2/c1-4-5-6-7-8-11(3)12-9-10(2)13-11/h10H,4-9H2,1-3H3
(3) InChIKey: JUESEMDRRNKFPQ-UHFFFAOYAE

Product Name

2-hexyl-2,4-dimethyl-1,3-dioxolane

1,3-Dioxolane,2-hexyl-2,4-dimethyl- Specification

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