Cas no 35050-88-5 (Phenol,2,6-diethyl-4-methyl-)
Phenol,2,6-diethyl-4-methyl- structure
Product Name:Phenol,2,6-diethyl-4-methyl-
CAS No:35050-88-5
MF:C11H16O
MW:164.244143486023
CID:322919
PubChem ID:182218
Update Time:2025-04-19
Phenol,2,6-diethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,6-diethyl-4-methyl-
- 2,6-diethyl-4-methylphenol
- DTXSID00188559
- 35050-88-5
- SCHEMBL45859
- Phenol, 2,6-diethyl-4-methyl-
-
- Inchi： 1S/C11H16O/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7,12H,4-5H2,1-3H3
- InChI Key： HFVTUNMAGWBDGI-UHFFFAOYSA-N
- SMILES： OC1C(=CC(C)=CC=1CC)CC
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 3.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.967±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 49 oC
- Boiling Point: 229-230 oC
- Flash Point: 109.0±8.4 oC,
- Refractive Index: 1.525
- Solubility: Very slightly soluble (0.25 g/l) (25 o C),
- PSA: 20.23
Phenol,2,6-diethyl-4-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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