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CAS No.: | 28104-02-1 |
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Name: | 2-methoxy-4-methyl-1,3-dioxolane |
Molecular Structure: | |
Formula: | C5H10O3 |
Molecular Weight: | 118.133 |
Synonyms: | 2-methoxy-4-methyl-1,3-dioxolane |
EINECS: | 248-844-0 |
Density: | 1.04 g/cm3 |
Boiling Point: | 126.5 °C at 760 mmHg |
Flash Point: | 37.5 °C |
PSA: | 27.69000 |
LogP: | 0.35170 |
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The CAS registry number of 1,3-Dioxolane,2-methoxy-4-methyl- is 28104-02-1. Its EINECS registry number is 248-844-0. This chemical's molecular formula is C5H10O3 and molecular weight is 118.1311. What's more, both its IUPAC name and systematic name are the same which is 2-Methoxy-4-methyl-1,3-dioxolane.
Physical properties about 1,3-Dioxolane,2-methoxy-4-methyl- are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.67; (8)ACD/KOC (pH 7.4): 16.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 28.32 cm3; (15)Molar Volume: 112.7 cm3; (16)Polarizability: 11.22×10-24 cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 37.5 °C; (20)Enthalpy of Vaporization: 34.92 kJ/mol; (21)Boiling Point: 126.5 °C at 760 mmHg; (22)Vapour Pressure: 14.1 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C1OC(C)CO1
(2) InChI: InChI=1/C5H10O3/c1-4-3-7-5(6-2)8-4/h4-5H,3H2,1-2H3
(3) InChIKey: QKJZGZIHQKQLOE-UHFFFAOYAE