2,2'-Oxybis-propanoic Acid Diethyl Ester - CAS 6937-25-3

Catalog:	BB076477
Product Name:	2,2'-Oxybis-propanoic Acid Diethyl Ester
CAS:	6937-25-3
Synonyms:	2,2'-Oxybis-propanoic Acid 1,1'-Diethyl Ester; Diethyl 2,2'-Oxydipropionate; NSC 41608

Technical Data

IUPAC Name:	ethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxypropanoate
Description:	2,2'-Oxybis-propanoic Acid Diethyl Ester is an intermediate used in the preparation of the organochlorine pesticide Bis(2-chloroisopropyl) Ether (B419020(M)). Bis(2-chloroisopropyl) Ether is used as a nematicide to control parasitic nematodes in agriculture.
Molecular Weight:	218.25
Molecular Formula:	C10H18O5
Canonical SMILES:	CCOC(=O)C(C)OC(C)C(=O)OCC
InChI:	InChI=1S/C10H18O5/c1-5-13-9(11)7(3)15-8(4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
InChI Key:	RPDMOJMOEXTZSV-UHFFFAOYSA-N
Solubility:	Acetone, Chloroform, Dichloromethane, Ethyl Acetate
Appearance:	Colorless Oil
References:	Chiyonishio, T. et al. Tott.-ken Nog. Shik. Ken. Hok., 13, 29 (1973); Moreno Horn, M. et al. 179, 234 (2003).

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.11542367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.11542367
Rotatable Bond Count:	8
Topological Polar Surface Area:	61.8Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5