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| CAS No.: | 94089-21-1 |
|---|---|
| Name: | (E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane |
| Molecular Structure: | |
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| Formula: | C9H16O2 |
| Molecular Weight: | 156.22 |
| Synonyms: | 1,3-Dioxolane,4-methyl-2-(1-pentenyl)-, (E)-;1,3-Dioxolane, 4-methyl-2-(1E)-1-pentenyl-(9CI); |
| EINECS: | 302-121-7 |
| Density: | 0.978g/cm3 |
| Boiling Point: | 185.3°C at760mmHg |
| Flash Point: | 59.9°C |
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- Total:21 Page 1 of 1 1
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Specification
The trans-2-Hexenal propyleneglycol acetal with the cas number 94089-21-1 is also called 1,3-Dioxolane,4-methyl-2-(1E)-1-penten-1-yl-. The IUPAC name is 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxolane. Its EINECS registry number is 302-121-7. The molecular formula is C9H16O2.
The properties of the chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 46.76 cm3; (9)Molar Volume: 159.6 cm3; (10)Polarizability: 18.53×10-24cm3; (11)Surface Tension: 32.4 dyne/cm; (12)Enthalpy of Vaporization: 40.42 kJ/mol; (13)Vapour Pressure: 0.963 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OC(C)C1)/C=C/CCC
(2)InChI: InChI=1/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
(3)InChIKey: WMWBRDXHCMVBJG-AATRIKPKBV