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87820-88-0

87820-88-0 Structure

87820-88-0 Structure
IdentificationMore
[Name]

Tralkoxydim
[CAS]

87820-88-0
[Synonyms]

2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone
ACHIEVE
GRASP
TRALKOXIDYM
TRALKOXYDIM
TRALKOXYDIME
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-mesitylcyclohex-2-enone
2-cyclohexen-1-one,2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylpheny
pp604
splendor
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,,6-trimethylphenyl-2-cyclohexen-1-one
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-mesi tylcyclohexen-2-one
TRALKOXIDYM PESTANAL, 250 MG
2-(1-[Ethoxyamino]propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone
2-Cyclohexen-1-one, 2-1-(ethoxyimino)propyl-3-hydroxy-5-(2,4,6-trimethylphenyl)-
tralkoxydim (bsi,iso)
TRALOXYDIM
2-[1-(ethoxyimino) propyl]-3-hydroxy-5-mestiylcyclohexen-2-one
Achiveve
[EINECS(EC#)]

252-615-0
[Molecular Formula]

C20H27NO3
[MDL Number]

MFCD00145415
[Molecular Weight]

329.43
[MOL File]

87820-88-0.mol
Chemical PropertiesBack Directory
[Melting point ]

106°
[Boiling point ]

467.02°C (rough estimate)
[density ]

1.1213 (rough estimate)
[refractive index ]

1.5614 (estimate)
[Fp ]

>100 °C
[storage temp. ]

0-6°C
[solubility ]

soluble in dichloromethane,Toluene,Acetone
[form ]

neat
[pka]

4.20±0.25(Predicted)
[color ]

Light yellow to Yellow to Orange
[Merck ]

13,9640
[BRN ]

8577523
[Henry's Law Constant]

4.1×104 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3
[InChIKey]

DQFPEYARZIQXRM-UHFFFAOYSA-N
[SMILES]

C1(=O)CC(C2=C(C)C=C(C)C=C2C)CC(O)=C1C(=NOCC)CC
[LogP]

4.460
[CAS DataBase Reference]

87820-88-0(CAS DataBase Reference)
[EPA Substance Registry System]

87820-88-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

GW7191600
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29280000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Carc. 2
[Hazardous Substances Data]

87820-88-0(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propionic anhydride-->Ethoxyamine hydrochloride-->2-Cyclohexen-1-one-->Mesitaldehyde-->Methoxyphenone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone(87820-88-0).msds
Questions And AnswerBack Directory
[Physical and Chemical Properties]

Appearance: White tasteless crystalline solid
Melting Point: 106℃
Saturated Vapor Pressure: 4×10-7Pa (<0.013×10-3Pa 20℃)
Solubility: 4×10-7Pa (<0.013×10-3Pa 20℃) in dichloromethane at 24℃, 213g/L in methylbenzene at 24℃, 110g/L in ethyl acetate at 24℃, 89g/L in acetone at 24℃, 25g/L in methanol at 24℃, 18g/L in hexane at 24℃.
6mg/L (pH=6.5) and 5mg/L (pH=5.0) in water at 20℃
[InChI Code]

1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3
[Toxicity]

P.O. acute toxicity: LD50=1324mg/kg for male rats, LD50=934mg/kg for female rats,  LD50=1321mg/kg for male mice, LD50=1100mg/kg for female mice, LD50>519mg/kg for rabbits.
Non-effect dose for rats in three-month feed test is 12.5mg/kg. LD50=3020mg/kg for mallard, LD50=4430mg/kg for partridge.
Acute percutaneous toxicity: LD50>2000mg/kg for male and female rats.
Acute inhalation toxicity: LC50>3467mg/m3 for male and female rats.
It has mild irritation on eyes and skin. No allergic effect on cavy.
No teratogenesis effect has been observed yet.
LC50>7.2mg/L (96h) for rainbow trout, LC50>8.2mg/L (96h) for Cyprinus carpio var.
[Application]

Tralkoxydim is a kind of highly selective herbicide with inward absorption and conduction ability. It’s used on a variety of graminaceous weeds in barley and wheat fields. It is rapidly absorbed and transferred throughout all parts of the weeds after foliar spray. The weeds will soon turn pale and wither. The general dosage is 150~350g effective constituent/hm2 . 200~350g effective constituent /hm2 of tralkoxydim applied from early growth period to elongation stage will be effective on the prevention and control of wild oat weeds.
[Synthesis]

The product of the reaction between 2,4,6-Trimethylbenzaldehyde and acetone react with diethyl malonate to generate an intermediate. The intermediate is transformed into 3-hydroxy-5-(2',4',6'-trimethylphenyl)-cyclohexyl-2-alkenyl-1-ketone after hydrolysis, cyclization and decarboxylation. Then it reacts with propionic anhydride in the presence of sodium methanol. The product reacts with ethoxyamine hydrochloride to generate methoxyphenone.
Hazard InformationBack Directory
[Uses]

Post-emergent herbicide.
[Definition]

ChEBI: Tralkoxydim is a mixture.
[Agricultural Uses]

Herbicide: Tralkoxydim is a post-emergent herbicide applied to actively growing weeds in wheat, barley, triticale and cereal rye to control wild oats, green foxtail, yellow foxtail, annual ryegrass and Persian darnel. Registered for use in EU countries. Registered for use in the U.S.
[Trade name]

ACHIEVE®; ACHIEVE®-40DG; ALPHA GRASP®; ICI-A 604®; PP 604®; SPLENDOR®
[Mechanism of action]

Selective, systemic, absorbed by leaves and translocated to growing points. Acetyl CoA carboxylase inhibitor (ACCase) - distrupts fatty acid biosynthesis and lipid formation.
[Pesticide Type]

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

87820-88-0(sigmaaldrich)
87820-88-0 suppliers list
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