Cas no 6950-09-0 (Phenol,2-(1,1-dimethylethyl)-4-methyl-, 1-acetate)
6950-09-0 structure
Product Name:Phenol,2-(1,1-dimethylethyl)-4-methyl-, 1-acetate
CAS No:6950-09-0
MF:C13H18O2
MW:206.280824184418
CID:526635
PubChem ID:231020
Update Time:2025-04-19
Phenol,2-(1,1-dimethylethyl)-4-methyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-(1,1-dimethylethyl)-4-methyl-, 1-acetate
- (2-tert-butyl-4-methylphenyl) acetate
- ACETIC ACID 2-TERT-BUTYL-4-METHYLPHENYL ESTER
- 2-tert-butyl-4-methylphenyl acetate
- AC1L5KSD
- AC1Q619T
- AR-1E5485
- CTK5D0187
- NSC26491
- NSC-26491
- SureCN9247660
- AKOS002952581
- DTXSID50282556
- 6950-09-0
- SCHEMBL9247660
-
- Inchi： 1S/C13H18O2/c1-9-6-7-12(15-10(2)14)11(8-9)13(3,4)5/h6-8H,1-5H3
- InChI Key： OENHRBOOMNCIEJ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(C)=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 26.3A^2
- XLogP3: 3.7
Experimental Properties
- Density: 0.982
- Boiling Point: 274.2°C at 760 mmHg
- Flash Point: 101.5°C
- Refractive Index: 1.49
- PSA: 26.3
Phenol,2-(1,1-dimethylethyl)-4-methyl-, 1-acetate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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