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74051-80-2

74051-80-2 Structure

74051-80-2 Structure
IdentificationMore
[Name]

Sethoxydim
[CAS]

74051-80-2
[Synonyms]

2-[1-(ethoximino)butyl]-5-[2-(ethylthio)-propyl]-3-hydroxy-2-cyclohexen-1-one
2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one
CHECKMATE(R)
(+/-)-(EZ)-2-(1-ETHOXYIMINOBUTYL)-5-[2-(ETHYLTHIO)PROPYL]-3-HYDROXY-CYCLOHEX-2-ENONE
FENVINAL(R)
FERVINAL
NABU
NABU(R)
POAST
POAST(R)
SETHOXYDIM
VANTAGE(R)
2-(1-(ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-on
2-(1-(ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexene-1-one
2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-on
2-Cyclohexen-1-one,2-(1-(ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-
aljaden
bas9052
bas90520h
checkmate
[EINECS(EC#)]

277-682-3
[Molecular Formula]

C17H29NO3S
[MDL Number]

MFCD03792698
[Molecular Weight]

327.48
[MOL File]

74051-80-2.mol
Chemical PropertiesBack Directory
[Appearance]

Oily, amber liquid. Odorless. Flammable. Commercial product is available as an emulsifiable concen- trate.
[Melting point ]

>90°C
[Boiling point ]

> 90℃
[density ]

1.043
[refractive index ]

1.7000 (estimate)
[storage temp. ]

2-8°C
[form ]

neat
[pka]

4.38±0.25(Predicted)
[color ]

Colorless to light yellow
[Merck ]

13,8549
[BRN ]

8222943
[Henry's Law Constant]

4.5×105 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

agriculture
environmental
[InChI]

1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+
[InChIKey]

CSPPKDPQLUUTND-NBVRZTHBSA-N
[SMILES]

CCC\C(=N/OCC)C1=C(O)CC(CC(C)SCC)CC1=O
[CAS DataBase Reference]

74051-80-2(CAS DataBase Reference)
[EPA Substance Registry System]

74051-80-2(EPA Substance)
Safety DataBack Directory
[RIDADR ]

UN3082 (liquid)
[WGK Germany ]

2
[RTECS ]

GW7191000
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
[Hazardous Substances Data]

74051-80-2(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl malonate-->Butyryl chloride-->Ethanethiol-->Methyl acetoacetate-->1,3-Cyclohexanedione-->3-HEPTEN-2-ONE-->CROTONALDEHYDE-->3-(Ethylthio)butanal-->N-Methylhexylamine
Hazard InformationBack Directory
[General Description]

Oily odorless liquid. Non corrosive. Used as an herbicide.
[Reactivity Profile]

A cyclohexene, oxime derivative. This compound is incompatible with organic and inorganic copper compounds.
[Air & Water Reactions]

Slightly water soluble.
[Potential Exposure]

A selective postemergence cyclohexa- dione/cyclohexenone herbicide used to control both annual and perennial grass weeds in broad-leaved vegetables, field crops, fruit, ornamentals, and indoor applications.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions) if breathing has stopped, and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Do not induce vomiting when formulations containing petroleum solvents are ingested. Otherwise, give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN3082 Environmentally hazardous substances, liquid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous haz- ardous material, Technical Name Required
[Incompatibilities]

Incompatible with strong acids, oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.). Incompatible with oxidi- zers (chlorates, nitrates, peroxides, permanganates, perchlo- rates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Incompatible with all copper compounds.
[Chemical Properties]

Oily, amber liquid. Odorless. Flammable. Commercial product is available as an emulsifiable concen- trate.
[Waste Disposal]

It is the responsibility of chemical waste generators to determine the toxicity and physical properties and of a discarded chemical and to properly identify its classification and certification as a haz- ardous waste and to determine the disposal method. United States Environmental Protection Agency guidelines for the classification determination are listed in 40 CFR Parts 261.3. In addition, waste generators must consult and fol- low all regional, national, state, and local hazardous waste laws to ensure complete and accurate classification and dis- posal methods. Follow recommendations for the disposal of pesticides and pesticide containers. Containers must be dis- posed of properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.
[Uses]

Food additive; herbicide.
[Definition]

ChEBI: Sethoxydim is an organic hydroxy compound.
[Production Methods]

The production of sethoxydim involves a multi-step synthesis process typical of cyclohexanedione herbicides. It begins with the construction of a substituted cyclohexenone ring, followed by the introduction of key functional groups: a hydroxy group at position 3, an ethylthio-propyl side chain at position 5, and an ethoxyimino-butyl moiety at position 2. These steps require controlled reactions involving alkylation, oxime formation, and thiolation, often using organic solvents such as toluene or xylene.
[Agricultural Uses]

Herbicide: A selective post-emergence herbicide used to control annual and perennial grass weeds in broad-leaved vegetables, field crops, fruit, ornamentals and indoor applications. Not approved for use in EU countries. Registered for use in the U.S. and Canada.
[Trade name]

ALJADEN®; ALLOXOL® S; ARD 34/02®; BASF 9052®; CHECKMATE®; CONCLUDE®; EXPAND®; FERVINAL®; GRASIDIM®; GRASSOUT®; NABU®; NP-55®; POAST®; TRITEXEXTRA®; ULTIMA®; VANTAGE®
[Mechanism of action]

Selective, systemic absorbed mainly by foliage. Acetyl CoA carboxylase inhibitor (ACCase) - distrupts fatty acid biosynthesis and lipid formation.
[Pesticide Type]

Herbicide
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

74051-80-2(sigmaaldrich)
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