Cas no 73987-51-6 (1,3-Dioxan-5-ol,2-(methylphenyl)- (9CI))
73987-51-6 structure
Product Name:1,3-Dioxan-5-ol,2-(methylphenyl)- (9CI)
CAS No:73987-51-6
MF:C11H14O3
MW:194.227063655853
CID:569300
PubChem ID:3033606
Update Time:2025-04-19
1,3-Dioxan-5-ol,2-(methylphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxan-5-ol,2-(methylphenyl)- (9CI)
- TOLUALDEHYDEGLYCERYLACETAL
- AKOS006276533
- NS00123690
- 73987-51-6
- CHEBI:173955
- Tolylaldehyde glyceryl acetal
- 2-(2-methylphenyl)-1,3-dioxan-5-ol
- DTXSID30224777
-
- Inchi: 1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11/h2-5,9,11-12H,6-7H2,1H3
- InChI Key: NCMQNBRXQZBDML-UHFFFAOYSA-N
- SMILES: O1CC(COC1C1C=CC=CC=1C)O
Computed Properties
- Exact Mass: 194.094294304g/mol
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 175
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 1.0431 (rough estimate)
- Boiling Point: 247.83°C (rough estimate)
- Flash Point: 166°C
- Refractive Index: 1.5600 (estimate)
1,3-Dioxan-5-ol,2-(methylphenyl)- (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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