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ChemicalBook--->CAS DataBase List--->99607-70-2

99607-70-2

99607-70-2 Structure

99607-70-2 Structure
IdentificationMore
[Name]

Cloquintocet-mexyl
[CAS]

99607-70-2
[Synonyms]

CLOQUINTOCET-1-METHYLHEXYL ESTER
CLOQUINTOCET-MEXYL
CLOQUINTOCET-MEXYL PESTANAL, 250 MG
cloquitocet_mexyl
Acetic acid, (5-chloro-8-quinolinyl)oxy-, 1-methylhexyl ester
1-Methylhexyl (5-chloroquinolin-8-yloxy)acetate
[EINECS(EC#)]

619-447-3
[Molecular Formula]

C18H22ClNO3
[MDL Number]

MFCD01632329
[Molecular Weight]

335.83
[MOL File]

99607-70-2.mol
Chemical PropertiesBack Directory
[Appearance]

beige solid
[Melting point ]

69°
[Boiling point ]

448.4±30.0 °C(Predicted)
[density ]

1.163±0.06 g/cm3(Predicted)
[vapor pressure ]

0-54.4Pa at 25-185.9℃
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

neat
[pka]

1.94±0.29(Predicted)
[color ]

White to Off-White
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Merck ]

14,2401
[LogP]

5.2-5.24 at 25℃ and pH5-9.1
[Surface tension]

56.8-57.2mN/m at 590μg/L and 20℃
[Dissociation constant]

3.55 at 20℃
[CAS DataBase Reference]

99607-70-2(CAS DataBase Reference)
[EPA Substance Registry System]

Cloquintocet-mexyl (99607-70-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R43:May cause sensitization by skin contact.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 3077
[WGK Germany ]

2
[RTECS ]

AG1265000
[HS Code ]

2933.49.3000
[Toxicity]

LD50 in rats (mg/kg): >2000 orally; >2000 dermally; LC50 (4 hr) in rats: >935 mg/m3 by inhalation (Amrein)
Hazard InformationBack Directory
[Description]

Cloquintocet-mexyl is a colourless crystalline herbicide safener. It is categorized as Class III toxin.
[Chemical Properties]

beige solid
[Uses]

Cloquintocet-mexyl is a herbicide. It is used to control coarse annual grass of the family poaceae (gramineae). lt was developed by the swiss ciba geigy in the 1980s and the patent has expired.
[Definition]

ChEBI: Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate is a member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8. It is an aromatic ether, an organochlorine compound, a member of quinolines and a carboxylic ester.
[Agricultural Uses]

Cloquintocet-mexyl is a safener that can be used in conjunction with various herbicides to reduce phytotoxicity to crops. Though effective as a safener, the manufacture, storage, and use of cloquintocet-mexyl containing products can present challenges owing to its sensitivity to water and its low melting temperature (i.e., 61-69° C. for technical material). When products containing cloquintocet-mexyl are prepared, stored, or used in the presence of water, cloquin tocet-mexyl can undergo hydrolysis to form cloquintocet acid, and/or form a needle-shaped, crystalline hydrate that can, lead to clogged spray nozzles during spray applications and/or possibly increased levels of crop phytotoxicity.
[Carcinogenicity]

In accordance with the EPA Proposed EPA Weight-of-the-Evidence Categories, August 1999, the HIARC classified cloquintocet-mexyl as "not likely to be a human carcinogen." Carcinogenicity studies in rats and mice did not show increased incidence of spontaneous tumor formation. With negative mutagenic test battery, it is suggested that cloquintocet-mexyl (CGA 185072) is not likely to be a human carcinogen.
[Metabolism]

Metabolism studies in rats indicated that approximately 40% of the administered dose of cloquintocet-mexyl was absorbed through the gastrointestinal tract and subsequently excreted via the urine. Fecal excretion accounted for approximately 60% of the administered dose. The chemical was rapidly eliminated (more than 80% of the administered dose) via feces and urine within 48 hours post-dosing. Sex, dosing regime, and dose levels had little effect on the excretion pattern. Excretion patterns were similar between the biliary cannulated and non-cannulated animals indicating that there was no enterohepatic circulation of the chemical. Three days after administration, tissue radioactivity accounted for less than 0.3% of the administered dose (or was non-detectable) and was not detectable in the expired air. At day three post-dosing, most tissue residues of radioactivity were below the limit of detection. The major metabolic pathway of cloquintocet-mexyl was ester hydrolysis to yield 5-chloro-8-quinolinoxy acetic acid, the major metabolite in the fecal and urinary pools.
[storage]

Store at -20°C
[Toxicity evaluation]

Cloquintocet-mexyl has a low order of acute oral, dermal, and inhalation toxicity. It is slightly irritating to the eyes and non-irritating to the skin. Cloquintocet-mexyl is a skin sensitizer. The chemical is not genotoxic and is not a reproductive and developmental toxicant. There is no evidence of neurotoxicity in the available studies. Cloquintocet-mexyl is classified as “not likely to be a human carcinogen.” The main metabolite for cloquintocet-mexyl is 5-chloro-8-quin-linoxyacetic acid, and testing on the metabolite is part of the toxicology database for cloquintocet-mexyl.
Spectrum DetailBack Directory
[Spectrum Detail]

Cloquintocet-mexyl(99607-70-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

99607-70-2(sigmaaldrich)
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