Cas no 2244-85-1 (1,3-Dioxane, 4-hexyl-)
1,3-Dioxane, 4-hexyl- structure
Product Name:1,3-Dioxane, 4-hexyl-
CAS No:2244-85-1
MF:C10H20O2
MW:172.264603614807
CID:268150
PubChem ID:102774
Update Time:2025-04-19
1,3-Dioxane, 4-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 4-hexyl-
- 4-hexyl-1,3-dioxane
- SCHEMBL11600351
- 2244-85-1
- EINECS 218-830-9
- NS00049253
- DRC3VD7W82
- DTXSID20883817
-
- Inchi： 1S/C10H20O2/c1-2-3-4-5-6-10-7-8-11-9-12-10/h10H,2-9H2,1H3
- InChI Key： MNIXGQSLDFHHHN-UHFFFAOYSA-N
- SMILES： O1COCCC1CCCCCC
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5
- XLogP3: 3.1
Experimental Properties
- Density: 0.896
- Boiling Point: 214.3°Cat760mmHg
- Flash Point: 78.7°C
- Refractive Index: 1.428
- PSA: 18.46
1,3-Dioxane, 4-hexyl- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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