S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
C11H13ClO2S
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Identification
- CAS Number
- 25319-90-8
- EC Number
- 246-831-4
- UN Number
- 3077
- Index Number
- 607-738-00-8
- PubChem CID
- 32876
Physical-chemical properties
- Molecular Formula
- C11H13ClO2S
- Molar Mass
- 244.74 g/mol
- IUPAC Name
- S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
Chemical Identifiers
- InChI
- InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
- InChI Key
- AZFKQCNGMSSWDS-UHFFFAOYSA-N
Overview
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate (CAS 25319-90-8) is an organosulfur thioester compound with selective herbicidal properties and significant environmental persistence concerns. This specialized chemical compound represents an important class of phenoxyacetic acid derivatives used primarily in agricultural applications. With the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol, this thioester exhibits unique chemical properties that make it valuable for specific industrial processes. The compound's structure features a chlorinated methylphenoxy group linked to an ethanethioate moiety, providing both stability and reactivity characteristics essential for its intended applications. The substance is classified under multiple hazard categories, including Acute Toxicity Category 4, Specific Target Organ Toxicity Repeat Exposure Category 2, and both Acute and Chronic Aquatic Toxicity Category 1. These classifications necessitate careful handling protocols and appropriate safety measures during storage, transportation, and use. The compound carries ADR Class 9 designation for transport purposes and displays GHS pictograms GHS07, GHS08, and GHS09, indicating health hazards and environmental dangers. Primary industrial applications include selective herbicide formulations, agricultural chemical intermediates, and specialized research applications in plant biology studies. The compound shares certain structural characteristics with other bioactive molecules such as 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one, though each maintains distinct activity profiles and application areas. Given its environmental persistence and aquatic toxicity profile, proper waste management and containment procedures are essential when working with this material. OYSI maintains reliable supply chains for S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate to serve European industrial clients requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | MCPA-thioethyl (ISO), fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is an organosulfur compound with the molecular formula C11H13ClO2S and CAS number 25319-90-8. This chemical substance has a molecular weight of 244.74 g/mol and belongs to the thioester family. It is classified as moderately hazardous with acute toxicity potential, specific target organ toxicity upon repeated exposure, and significant aquatic toxicity. The compound requires careful handling due to its toxicological profile and environmental impact concerns.
What are the physicochemical properties of S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is an organic compound with a molecular weight of 244.74 g/mol and molecular formula C11H13ClO2S. As a thioester derivative containing chlorine substituents, it typically appears as a liquid or solid at room temperature depending on purity and conditions. The presence of the phenoxy group and sulfur-containing thioester functionality influences its solubility characteristics, generally showing better solubility in organic solvents than water.
What is S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate used for?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its thioester functionality and substituted phenoxy structure make it valuable for developing biologically active compounds. The molecule serves as a building block in organic synthesis, particularly for creating derivatives with enhanced biological activity. Its applications are typically limited to industrial and research settings due to its toxicological profile and specialized chemical properties requiring professional handling.
How to handle S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate safely?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its Acute Tox. 4 classification and STOT RE 2 designation, avoid skin contact and inhalation. Ensure emergency procedures are in place and personnel are trained in proper handling techniques before use.
How to store S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate correctly?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from physical damage and ensure proper labeling with GHS pictograms (GHS07, GHS08, GHS09). Storage areas should be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Maintain inventory records and implement first-in-first-out rotation to ensure product integrity and regulatory compliance.
What to do in case of contact with S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?
In case of skin contact with S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with plenty of water for at least 15 minutes and seek medical attention. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific emergency procedures.
How to dispose of S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate appropriately?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate must be disposed of through licensed hazardous waste disposal facilities due to its toxicological properties and aquatic toxicity classification. The substance cannot be discharged into waterways or regular waste streams given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Disposal must comply with local, national, and European waste regulations including the Waste Framework Directive. Contact certified waste management companies specializing in chemical waste disposal for proper handling and documentation.
How to transport S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations for road transport within Europe. Packages must bear proper shipping names, UN numbers, and hazard labels. Transportation should only be conducted by trained personnel with appropriate emergency response procedures and equipment. Ensure compliance with modal transport regulations for rail, sea, or air transport.
Is S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate subject to specific regulations?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is subject to European REACH and CLP regulations requiring registration, classification, and labeling compliance. While not currently listed as an SVHC (Substance of Very High Concern), its Acute Tox. 4, STOT RE 2, and aquatic toxicity classifications mandate specific risk management measures. Users must ensure safety data sheets are available and implement appropriate risk assessment procedures. Compliance with national chemical safety regulations and workplace exposure limits is mandatory.
Where to buy S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate in Europe?
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers with proper documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures regulatory compliance and proper handling procedures for hazardous substances. Contact OYSI directly for availability, technical specifications, and regulatory support for your specific application requirements in the European market.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.