Cas no 72575-86-1 (Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester)
72575-86-1 structure
Product Name:Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester
CAS No:72575-86-1
MF:C13H18O3
MW:222.280224323273
CID:573621
PubChem ID:3018349
Update Time:2025-04-19
Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester
- isopropyl 2-phenoxyisobutyrate
- propan-2-yl 2-methyl-2-phenoxypropanoate
- 1-methylethyl 2-methyl-2-phenoxypropanoate
- DTXSID00993428
- EINECS 276-718-5
- 72575-86-1
- NS00062711
-
- Inchi： 1S/C13H18O3/c1-10(2)15-12(14)13(3,4)16-11-8-6-5-7-9-11/h5-10H,1-4H3
- InChI Key： CRHGSXZRDVJBLL-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C(=O)OC(C)C)(C)C
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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