Cas no 3526-75-8 (5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)-)
3526-75-8 structure
Product Name:5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)-
5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)-
- 2-(3,8-dimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-yl)propan-2-ol
- (3S-(3alpha,3Abeta,5alpha,8alpha,8abeta))-decahydro-alpha,alpha,3,8-tetramethylazulene-5-methanol
- 2-(3,8-dimethyldecahydroazulen-5-yl)propan-2-ol
- 5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,3abeta,5alpha,8alpha,8abeta))-
- 5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)-
- 5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, [3S-(3a,3ab,5a,8a,8ab)]-
- Guaian-11-ol (8CI)
- 1a,5a-Dihydroguaiol
- Galbanol
- 3526-75-8
- EINECS 222-546-0
- DTXSID30863185
- NS00012189
-
- Inchi： 1S/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3
- InChI Key： PAFKTNNJJBQVBA-UHFFFAOYSA-N
- SMILES： OC(C)(C)C1CCC(C)C2CCC(C)C2C1
Computed Properties
- Exact Mass: 224.214
- Monoisotopic Mass: 224.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 4.4
Experimental Properties
- Density: 0.913
- Boiling Point: 301.4°Cat760mmHg
- Flash Point: 138.6°C
- Refractive Index: 1.471
5-Azulenemethanol,decahydro-a,a,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)- Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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