Cas no 51115-63-0 (Benzoic acid,2-hydroxy-, 2-methylbutyl ester)
51115-63-0 structure
Product Name:Benzoic acid,2-hydroxy-, 2-methylbutyl ester
CAS No:51115-63-0
MF:C12H16O3
MW:208.253643989563
CID:372783
Update Time:2025-04-19
Benzoic acid,2-hydroxy-, 2-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, 2-methylbutyl ester
- 2-methylbutyl 2-hydroxybenzoate
- 2-methylbutyl salicylate
- EINECS 256-972-3
-
- Inchi： 1S/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3
- InChI Key： LCMNCRZMVCRJNZ-UHFFFAOYSA-N
- SMILES： CCC(COC(C1C(O)=CC=CC=1)=O)C
Computed Properties
- Exact Mass: 208.11000
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- 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: 4.3
Experimental Properties
- Density: 1.083
- Boiling Point: 281.5 °C at 760 mmHg
- Flash Point: 109.9 °C
- Refractive Index: 1.519
- PSA: 46.53000
- LogP: 2.59510
Benzoic acid,2-hydroxy-, 2-methylbutyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
51115-63-0 (Benzoic acid,2-hydroxy-, 2-methylbutyl ester) Related Products
- 2052-14-4(Butyl salicylate)
- 6259-76-3(Hexyl salicylate)
- 87-19-4(Isobutyl salicylate)
- 87-20-7(Isoamyl salicylate)
- 19666-17-2(Benzoic acid,2-hydroxy-, tetradecyl ester)
- 19666-16-1(Benzoic acid,2-hydroxy-, tridecyl ester)
- 34377-38-3(Isoamyl salicylate)
- 2050-08-0(2-Hydroxybenzoic Acid Pentyl Ester)
- 6969-49-9(Octyl salicylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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