Cas no 772-01-0 (1,3-Dioxane, 2-phenyl-)
1,3-Dioxane, 2-phenyl- structure
Product Name:1,3-Dioxane, 2-phenyl-
1,3-Dioxane, 2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane, 2-phenyl-
- 2-phenyl-1,3-dioxane
- 1,3-Dioxane,2-phenyl
- 2-Phenyl-1,3-dioxan
- 2-phenyl-1,4-dioxolane
- 2-Phenyl-m-dioxane
- m-Dioxane,2-phenyl
- phenyl-1,3-dioxane
- A70K3QI3S7
- m-Dioxane, 2-phenyl-
- NSC 71559
- NSC-71559
- 772-01-0
- NCIOpen2_000500
- 2-Phenyl-[1,3]dioxane
- EINECS 212-245-2
- AKOS006274231
- NSC71559
- NS00037887
- SCHEMBL733501
- 2-phenyl [1,3]dioxane
- AI3-11755
- DTXSID9061122
- UNII-A70K3QI3S7
-
- Inchi: 1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
- InChI Key: LNEMDIUSUQPKIP-UHFFFAOYSA-N
- SMILES: O1CCCOC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 164.08400
- Monoisotopic Mass: 164.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 124
- 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: 18.5
- XLogP3: 1.7
Experimental Properties
- Density: 1.1110
- Melting Point: 41°C
- Boiling Point: 253°C (estimate)
- Flash Point: 113.2°C
- Refractive Index: 1.5155 (estimate)
- PSA: 18.46000
- LogP: 2.12210
1,3-Dioxane, 2-phenyl- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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