Cas no 25451-09-6 (1,3-Propanediol,2,2-di-p-tolyl- (8CI))
25451-09-6 structure
Product Name:1,3-Propanediol,2,2-di-p-tolyl- (8CI)
CAS No:25451-09-6
MF:C17H20O2
MW:256.339505195618
CID:282581
PubChem ID:213000
Update Time:2025-04-19
1,3-Propanediol,2,2-di-p-tolyl- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2,2-di-p-tolyl- (8CI)
- 2,2-bis(4-methylphenyl)propane-1,3-diol
- DTXSID10180120
- 25451-09-6
- 1,3-Propanediol, 2,2-di-p-tolyl-
- 2,2-Di(p-tolyl)-1,3-propanediol
-
- Inchi： 1S/C17H20O2/c1-13-3-7-15(8-4-13)17(11-18,12-19)16-9-5-14(2)6-10-16/h3-10,18-19H,11-12H2,1-2H3
- InChI Key： AOBZBJVTSNDERG-UHFFFAOYSA-N
- SMILES： OCC(CO)(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 256.1464
- Monoisotopic Mass: 256.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 40.5
- XLogP3: 3
Experimental Properties
- Density: 1.113
- Boiling Point: 442.7°Cat760mmHg
- Flash Point: 209.1°C
- Refractive Index: 1.584
- PSA: 40.46
1,3-Propanediol,2,2-di-p-tolyl- (8CI) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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