Cas no 1499-02-1 (1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)-)
1499-02-1 structure
Product Name:1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)-
CAS No:1499-02-1
MF:C6H12O3
MW:132.157682418823
CID:188273
Update Time:2026-05-14
1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)-
- s-Trioxane,2,4,6-trimethyl-, cis-2,4,cis-2,6- (8CI)
-
- Inchi： InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
- InChI Key： SQYNKIJPMDEDEG-UHFFFAOYSA-N
- SMILES： CC1OC(C)OC(C)O1
Computed Properties
- Exact Mass: 132.078644
- Monoisotopic Mass: 132.078644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 63.3
- 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: 0.7
- Topological Polar Surface Area: 27.7
Experimental Properties
- Boiling Point: 124.5 Deg C
1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
1499-02-1 (1,3,5-Trioxane,2,4,6-trimethyl-, (2a,4a,6a)-) Related Products
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