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| CAS No.: | 18433-93-7 |
|---|---|
| Name: | 2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H16O2 |
| Molecular Weight: | 144.214 |
| Synonyms: | 1,3-Dioxolane,2-isobutyl-4-methyl- (8CI);2-Isobutyl-4-methyl-1,3-dioxolane; |
| EINECS: | 242-309-5 |
| Density: | 0.891g/cm3 |
| Boiling Point: | 157.6 °C at 760 mmHg |
| Flash Point: | 48 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 1993 |
| PSA: | 18.46000 |
| LogP: | 1.79390 |
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Specification
The Isovaleraldehyde propyleneglycol acetal, with CAS registry number 18433-93-7, has the systematic name of 4-methyl-2-(2-methylpropyl)-1,3-dioxolane. And its IUPAC name is the same one. This chemical is flammable, so keep it away from sources of ignition. What's more, its EINECS is 242-309-5.
Physical properties of Isovaleraldehyde propyleneglycol acetal: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.78; (8)ACD/KOC (pH 7.4): 192.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 40.3 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 15.97×10-24cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Enthalpy of Vaporization: 37.8 kJ/mol; (19)Vapour Pressure: 3.53 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(C)COC1CC(C)C
(2)InChI: InChI=1/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
(3)InChIKey: PDVLTWPJDBXATJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
(5)Std. InChIKey: PDVLTWPJDBXATJ-UHFFFAOYSA-N