Cas no 14496-66-3 (Propionic acid,2-(p-chlorophenoxy)-2-methyl-, propylene ester (8CI))
14496-66-3 structure
Product Name:Propionic acid,2-(p-chlorophenoxy)-2-methyl-, propylene ester (8CI)
CAS No:14496-66-3
MF:C23H26Cl2O6
MW:469.354945659637
CID:199068
PubChem ID:203460
Update Time:2025-04-19
Propionic acid,2-(p-chlorophenoxy)-2-methyl-, propylene ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Propionic acid,2-(p-chlorophenoxy)-2-methyl-, propylene ester (8CI)
- 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
- Bis[2-(p-chlorophenoxy)-2-methylpropionic acid]propylene ester
- 1,2-Propanediol bis(alpha-(p-chlorophenoxy)isobutyrate)
- 14496-66-3
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 1,2-propanediyl ester
- Propane-1,2-diyl bis[2-(4-chlorophenoxy)-2-methylpropanoate]
- DTXSID60932459
- BRN 1897439
-
- Inchi： 1S/C23H26Cl2O6/c1-15(29-21(27)23(4,5)31-19-12-8-17(25)9-13-19)14-28-20(26)22(2,3)30-18-10-6-16(24)7-11-18/h6-13,15H,14H2,1-5H3
- InChI Key： XBGRDKKBYZSYFW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC(C)(C)C(=O)OC(C)COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 468.11078
- Monoisotopic Mass: 468.1106439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 11
- Complexity: 593
- 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: 6.3
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
Propionic acid,2-(p-chlorophenoxy)-2-methyl-, propylene ester (8CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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