Sethoxydim is a post-emergent herbicide. Sethoxydim inhibits plant acetyl-CoA carboxylase (ACCase) activity.

Physicochemical Properties

Molecular Formula	C17H29NO3S
Molecular Weight	327.48
Exact Mass	327.187
CAS #	74051-80-2
PubChem CID	135491830
Appearance	Oily liquid
Density	1.043
Boiling Point	431.9ºC at 760 mmHg
Melting Point	>90°C
Flash Point	215ºC
Index of Refraction	1.534
LogP	4.501
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	22
Complexity	432
Defined Atom Stereocenter Count	0
SMILES	CCCC(=NOCC)C1=C(CC(CC(C)SCC)CC1=O)O
InChi Key	CSPPKDPQLUUTND-NBVRZTHBSA-N
InChi Code	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+
Chemical Name	2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	In maize chloroplasts, sethoxydim (0-100 μM, 5 minutes) suppresses acetyl-CoA carboxylase activity [1]. Rapeseed leaf growth rate, chlorophyll content, and lipid content are all inhibited by 1 μM of sethoxydim [1].
ADME/Pharmacokinetics	Absorption, Distribution and Excretion In rats, following oral administration, 78.5% is eliminated in the urine and 20.1% in the feces within 48 hr. In a rat metabolism study, excretion was extremely rapid and tissue accumulation was negligible. Metabolism / Metabolites In soya beans, the parent molecule is oxidised, structurally rearranged, and conjugated. Transformation to metabolites is very rapid.
Toxicity/Toxicokinetics	Toxicity Data LC50 (rat) = 6,280 mg/m3/4h Non-Human Toxicity Values LD50 Rat oral 3200-3500 mg/kg LD50 Rat dermal >5000 mg/kg LD50 Rat (male) oral 3125 mg/kg LD50 Rat (female) oral 2676 mg/kg For more Non-Human Toxicity Values (Complete) data for SETHOXYDIM (8 total), please visit the HSDB record page.
References	[1]. Inhibition of plant acetyl-coenzyme A carboxylase by the herbicides sethoxydim and haloxyfop. Biochem Biophys Res Commun. 1987 Nov 13;148(3):1039-44. [2]. Sethoxydim treatment inhibits lipid metabolism and enhances the accumulation of anthocyanins in rape (Brassica napus L.) leaves. Pestic Biochem Physiol. 2013 Sep;107(1):120-6.
Additional Infomation	Sethoxydim is an oily odorless liquid. Non corrosive. Used as an herbicide. Sethoxydim is an organic hydroxy compound. Sethoxydim is a selective postemergence herbicide used to control annual and perennial grass weeds in broad-leaved vegetable, fruit, field and ornamental crops. It also has indoor uses. Sethoxydim is moderately toxic by ingestion, and not toxic by dermal absorption. It causes skin and eye irritation. Inhalation of dusts or vapors can cause irritation of the throat and nose.

Solubility Data

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.0536 mL	15.2681 mL	30.5362 mL
	5 mM	0.6107 mL	3.0536 mL	6.1072 mL
	10 mM	0.3054 mL	1.5268 mL	3.0536 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.