Cas no 822-83-3 (1,3-Dioxolane,2-(1-methylethyl)-)
822-83-3 structure
Product Name:1,3-Dioxolane,2-(1-methylethyl)-
1,3-Dioxolane,2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane,2-(1-methylethyl)-
- 2-propan-2-yl-1,3-dioxolane
- Q27159520
- NSC 139442
- SCHEMBL3079746
- 1,3-Dioxolane, 2-isopropyl-
- CHEBI:87317
- ISOBUTYRALDEHYDE ETHYLENE ACETAL
- 1, 2-isopropyl-
- AKOS006291982
- InChI=1/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H
- NSC139442
- 822-83-3
- 1,3-Dioxolane, 2-(1-methylethyl)-
- NSC-139442
- 2-(1-Methylethyl)-1,3-dioxolane
- 2-ISOPROPYL-1,3-DIOXOLANE
- AWV7Z4N6FJ
- 2-(propan-2-yl)-1,3-dioxolane
- 2-Isopropyldioxolane
- DTXSID50231620
-
- Inchi： 1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
- InChI Key： SMYRHRFGKYUCFB-UHFFFAOYSA-N
- SMILES： O1CCOC1C(C)C
Computed Properties
- Exact Mass: 116.084
- Monoisotopic Mass: 116.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 64.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 1.2
Experimental Properties
- Density: 0.945
- Boiling Point: 130°C at 760 mmHg
- Flash Point: 32.3°C
- Refractive Index: 1.417
1,3-Dioxolane,2-(1-methylethyl)- Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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