Cas no 59227-82-6 (Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-, ethyl ester)
59227-82-6 structure
Product Name:Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-, ethyl ester
CAS No:59227-82-6
MF:C12H15ClO3
MW:242.698703050613
CID:339421
PubChem ID:1531499
Update Time:2025-04-19
Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-, ethyl ester
- ethyl 2-(3-chlorophenoxy)-2-methylpropanoate
- AKOS003331610
- ethyl 2-(3-chlorophenoxy)-2-methylpropionate
- SCHEMBL4422408
- DTXSID40364153
- PIJQXCKYCXTTHO-UHFFFAOYSA-N
- 59227-82-6
-
- Inchi： 1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3
- InChI Key： PIJQXCKYCXTTHO-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)OC(C(=O)OCC)(C)C
Computed Properties
- Exact Mass: 242.07105
- Monoisotopic Mass: 242.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 240
- 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: 3.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-, ethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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