Cas no 120550-71-2 (Phenol,4-ethyl-2-methoxy-5-methyl-)
120550-71-2 structure
Product Name:Phenol,4-ethyl-2-methoxy-5-methyl-
CAS No:120550-71-2
MF:C10H14O2
MW:166.216963291168
CID:228638
PubChem ID:183541
Update Time:2025-04-19
Phenol,4-ethyl-2-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-ethyl-2-methoxy-5-methyl-
- 4-ethyl-2-methoxy-5-methylphenol
- SCHEMBL19463954
- JI32GU8QO2
- 120550-71-2
- Phenol, 4-ethyl-2-methoxy-5-methyl-
- DTXSID90152906
- UNII-JI32GU8QO2
-
- Inchi： 1S/C10H14O2/c1-4-8-6-10(12-3)9(11)5-7(8)2/h5-6,11H,4H2,1-3H3
- InChI Key： OEXXCPGDMQDJGV-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(C)=C(C=1)CC)O
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 136
- 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: 2.7
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.032
- Boiling Point: 270.5°Cat760mmHg
- Flash Point: 123°C
- Refractive Index: 1.523
- PSA: 29.46
Phenol,4-ethyl-2-methoxy-5-methyl- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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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
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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