Cas no 1121-61-5 (4-ethyl-1,3-dioxane)
4-ethyl-1,3-dioxane structure
Product Name:4-ethyl-1,3-dioxane
CAS No:1121-61-5
MF:C6H12O2
MW:116.158282279968
CID:1199755
PubChem ID:13352309
Update Time:2025-04-20
4-ethyl-1,3-dioxane Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dioxane, 4-ethyl-
- 4-Ethyl-1,3-dioxane
- LogP
- SCHEMBL338247
- 1121-61-5
- BHPXLRFSKUSDNN-UHFFFAOYSA-N
- DTXSID60537968
- 4-ethyl-1,3-dioxane
-
- Inchi： 1S/C6H12O2/c1-2-6-3-4-7-5-8-6/h6H,2-5H2,1H3
- InChI Key： BHPXLRFSKUSDNN-UHFFFAOYSA-N
- SMILES： O1COCCC1CC
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 63.5
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.921
- Boiling Point: 134.8°C at 760 mmHg
- Flash Point: 35.1°C
- Refractive Index: 1.406
- PSA: 18.46
4-ethyl-1,3-dioxane Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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