Cas no 6342-03-6 (4-tert-butyl-2-(ethoxymethyl)phenol)
6342-03-6 structure
Product Name:4-tert-butyl-2-(ethoxymethyl)phenol
CAS No:6342-03-6
MF:C13H20O2
MW:208.296704292297
CID:1651515
PubChem ID:241375
Update Time:2025-04-21
4-tert-butyl-2-(ethoxymethyl)phenol Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-butyl-2-(ethoxymethyl)phenol
- NSC48677
- AC1Q58PI
- AC1L677Z
- CTK5B9105
- AR-1G4653
- NSC-48677
- AG-J-42800
- NSC48677; AC1Q58PI; AC1L677Z; CTK5B9105; AR-1G4653; NSC-48677; AG-J-42800;
- 6342-03-6
- DTXSID90287025
-
- Inchi： 1S/C13H20O2/c1-5-15-9-10-8-11(13(2,3)4)6-7-12(10)14/h6-8,14H,5,9H2,1-4H3
- InChI Key： SAAXEZSRTUHZPG-UHFFFAOYSA-N
- SMILES： O(CC)CC1=C(C=CC(=C1)C(C)(C)C)O
Computed Properties
- Exact Mass: 208.1464
- Monoisotopic Mass: 208.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 184
- 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
- Topological Polar Surface Area: 29.5
- XLogP3: 3.3
Experimental Properties
- Density: 0.99
- Boiling Point: 283.9°C at 760 mmHg
- Flash Point: 104.8°C
- Refractive Index: 1.505
- PSA: 29.46
- LogP: 3.22620
4-tert-butyl-2-(ethoxymethyl)phenol Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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