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ETHOFUMESATE-2-KETO

ETHOFUMESATE-2-KETO structure

CAS No:
26244-33-7
Formula:
C11H12O5S
Chemical Name:
ETHOFUMESATE-2-KETO
Synonyms:
2,3-dihydro-3-3-dimethyl-2-oxo-5-benzofuranylmethanesulfonate;Methanesulfonicacid3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-5-ylester,3,3-Dimethyl-2-oxo-2,3-dihydrobenzofurane-5-ylmethanesulfonate;3,3-Dimethyl-5-[(methylsulfonyl)oxy]-2(3H)-benzofuranone
Categories:
Analytical Chemistry > Standard

Description

Ethofumesate-2-keto is a methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl group. It is a metabolite of the herbicide ethofumesate. It has a role as a marine xenobiotic metabolite. It is a methanesulfonate ester, a member of 1-benzofurans and a gamma-lactone.

ETHOFUMESATE-2-KETO Basic Attributes

Molecular Weight：

256.277

Exact Mass：

256.04100

DSSTox ID：

DTXSID90343594

HScode：

2932209090

Characteristics

PSA：

XLogP3：

2.30240

Density：

1.352g/cm3

Boiling Point：

396.9ºC at 760 mmHg

Flash Point：

193.8ºC

Refractive Index：

1.548

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

51/53

safety instructions：

Marks：

ETHOFUMESATE-2-KETO Use and Manufacturing

Use Classification：

Pesticides -> Herbicides -> Benzofuranyl alkylsulfonate herbicides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Ethofumesate-2-keto is a known environmental transformation product of Ethofumesate.|Ethofumesate 2-keto (NC 9607) is a known environmental transformation product of ethofumesate.

Computed Properties

Molecular Weight:256.28
XLogP3:1.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:256.04054465
Monoisotopic Mass:256.04054465
Topological Polar Surface Area:78
Heavy Atom Count:17
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes