Cas no 5406-61-1 (3-methyl-6-phenylhexan-3-ol)
3-methyl-6-phenylhexan-3-ol structure
Product Name:3-methyl-6-phenylhexan-3-ol
CAS No:5406-61-1
MF:C13H20O
MW:192.297304153442
CID:1586882
PubChem ID:221927
Update Time:2025-04-21
3-methyl-6-phenylhexan-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-6-phenylhexan-3-ol
- NSC7042
- AC1L5B14
- AC1Q77C1
- NSC-7042
- AR-1F4361
- NSC7042; AC1L5B14; AC1Q77C1; NSC-7042; AR-1F4361;
- AKOS014478708
- 5406-61-1
-
- Inchi： 1S/C13H20O/c1-3-13(2,14)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
- InChI Key： WACDEEWNZKZZIF-UHFFFAOYSA-N
- SMILES： OC(C)(CC)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.95
- Boiling Point: 296.7°C at 760 mmHg
- Flash Point: 117.9°C
- Refractive Index: 1.509
- PSA: 20.23
- LogP: 3.17030
3-methyl-6-phenylhexan-3-ol Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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