1,3-Dioxolane,2-hexyl-4,5-dimethyl- supplier

Name
2-hexyl-4,5-dimethyl-1,3-dioxolane
EINECS 229-261-0
CAS No. 6454-22-4
Density 0.868 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂O₂
Boiling Point 218 °C at 760 mmHg
Molecular Weight 186.2912
Flash Point 80.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxolane, 4,5-dimethyl-2-hexyl-;
PSA 18.46000
LogP 3.10670

1,3-Dioxolane,2-hexyl-4,5-dimethyl- Specification

The 1,3-Dioxolane,2-hexyl-4,5-dimethyl-, with the CAS registry number 6454-22-4, is also known as 1,3-Dioxolane, 4,5-dimethyl-2-hexyl-. It belongs to the product category of Aldehyde flavor. Its EINECS registry number is 229-261-0. This chemical's molecular formula is C₁₁H₂₂O₂ and molecular weight is 186.2912. What's more, both its IUPAC name and systematic name are the same which is 2-Hexyl-4,5-dimethyl-1,3-dioxolane.

Physical properties about 1,3-Dioxolane,2-hexyl-4,5-dimethyl- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 229.11; (6)ACD/BCF (pH 7.4): 229.11; (7)ACD/KOC (pH 5.5): 1701.87; (8)ACD/KOC (pH 7.4): 1701.87; (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: 1.42; (14)Molar Refractivity: 54.31 cm³; (15)Molar Volume: 214.3 cm³; (16)Polarizability: 21.53×10^-24 cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.868 g/cm³; (19)Flash Point: 80.6 °C; (20)Enthalpy of Vaporization: 43.58 kJ/mol; (21)Boiling Point: 218 °C at 760 mmHg; (22)Vapour Pressure: 0.19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C(OC1CCCCCC)C)C
(2) InChI: InChI=1/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3
(3) InChIKey: MTNLKAOONWIMIT-UHFFFAOYAU

Product Name

2-hexyl-4,5-dimethyl-1,3-dioxolane

1,3-Dioxolane,2-hexyl-4,5-dimethyl- Specification

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