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