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Home Halogens Acetic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester

Acetic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester

CAS No.:
25168-26-7
Catalog Number:
AG002QQ9
Molecular Formula:
C16H22Cl2O3
Molecular Weight:
333.2501
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Product Description
Catalog Number:
AG002QQ9
Chemical Name:
Acetic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester
CAS Number:
25168-26-7
Molecular Formula:
C16H22Cl2O3
Molecular Weight:
333.2501
MDL Number:
MFCD00137356
IUPAC Name:
6-methylheptyl 2-(2,4-dichlorophenoxy)acetate
InChI:
InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3
InChI Key:
BBPLSOGERZQYQC-UHFFFAOYSA-N
SMILES:
CC(CCCCCOC(=O)COc1ccc(cc1Cl)Cl)C
EC Number:
246-704-3
UNII:
M7GLT14C7B
UN Number:
1993
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.249g/mol
Monoisotopic Mass:
332.095g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Literature
Title Journal
Dissipation and residue of 2,4-D isooctyl ester in wheat and soil. Environmental monitoring and assessment 20120701
Cytogenetic effects of short- and long-term exposure of chick embryos to the phenoxyherbicide 2,4-D. Environmental and molecular mutagenesis 20070701
Unidentified inert ingredients in pesticides: implications for human and environmental health. Environmental health perspectives 20061201
[Effect of 2,4-D isooctylester on sperms in tail of epididymis and HSP70 expression of testis tissue in rats]. Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases 20040801
Sister chromatid exchange induction by the herbicide 2,4-dichlorophenoxyacetic acid in chick embryos. Ecotoxicology and environmental safety 20030701
Properties