Cas no 57057-60-0 (Acetic acid,2-(2-chloro-6-methylphenoxy)-, ethyl ester)
57057-60-0 structure
Product Name:Acetic acid,2-(2-chloro-6-methylphenoxy)-, ethyl ester
CAS No:57057-60-0
MF:C11H13ClO3
MW:228.672122716904
CID:379638
PubChem ID:302721
Update Time:2025-04-19
Acetic acid,2-(2-chloro-6-methylphenoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(2-chloro-6-methylphenoxy)-, ethyl ester
- ethyl 2-(2-chloro-6-methylphenoxy)acetate
- AC1L7154
- NSC190432
- NSC-190432
- Aceticacid, (2-chloro-6-methylphenoxy)-, ethyl ester (9CI)
- NSC 190432
- 57057-60-0
- DTXSID20307225
-
- Inchi： 1S/C11H13ClO3/c1-3-14-10(13)7-15-11-8(2)5-4-6-9(11)12/h4-6H,3,7H2,1-2H3
- InChI Key： FIIITIRQQDNNIH-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C)=C1OCC(=O)OCC
Computed Properties
- Exact Mass: 228.05539
- Monoisotopic Mass: 228.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 208
- 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
- Density: 1.174
- Boiling Point: 298.3°C at 760 mmHg
- Flash Point: 117.4°C
- Refractive Index: 1.511
- PSA: 35.53
- LogP: 2.59030
Acetic acid,2-(2-chloro-6-methylphenoxy)-, ethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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