S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate

C11H13ClO2S

CAS25319-90-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 moderate toxicity characteristics. This specialized chemical compound, also known by its IUPAC designation S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate, represents a significant advancement in agricultural chemistry applications. With its molecular formula C11H13ClO2S and molecular weight of 244.74 g/mol, this thioester derivative exhibits unique chemical properties that make it valuable for various industrial applications. The compound features a characteristic phenoxy group substituted with chlorine and methyl functionalities, combined with an ethyl thioester moiety that contributes to its biological activity profile. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. The compound presents acute toxicity concerns (Acute Tox. 4), potential for specific target organ toxicity following repeated exposure (STOT RE 2), and significant environmental impact on aquatic ecosystems (Aquatic Acute 1; Aquatic Chronic 1). The GHS pictograms GHS07, GHS08, and GHS09 indicate health hazards, serious health hazards, and environmental dangers respectively, while the ADR Class 9 designation classifies it as a miscellaneous dangerous substance for transport purposes. Industrial applications primarily focus on agricultural formulations where its selective action mechanism proves beneficial. The compound shares chemical space with other bioactive molecules such as 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one, which also exhibits herbicidal properties, though through different molecular pathways. Additional applications include use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing processes. OYSI maintains reliable supply chains for S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate, ensuring consistent availability for European industrial customers requiring this specialized chemical compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameMCPA-thioethyl (ISO), fest
Marine PollutantNo

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 contains chlorine, sulfur, and oxygen functional groups within its aromatic structure. It is classified as a hazardous substance requiring proper handling and safety measures due to its toxicological properties.

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 the molecular formula C11H13ClO2S. The substance contains aromatic rings with chloro and methyl substituents, along with thioester functionality. As an organosulfur compound, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties such as melting point, boiling point, and density should be confirmed through technical documentation.

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 chemical synthesis and pharmaceutical manufacturing processes. Its unique molecular structure, featuring both aromatic and thioester functionalities, makes it valuable for specialized chemical reactions. The compound may also serve in research and development applications within the agrochemical and fine chemical industries. Professional users should ensure compliance with relevant regulations and safety protocols when handling this substance.

How to safely handle S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?

S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate requires careful handling due to its Acute Tox. 4 classification and STOT RE 2 properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper training for all personnel handling this substance. Emergency procedures and safety data sheets must be readily available.

How to properly store S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?

S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use tightly sealed original containers made of compatible materials to prevent contamination and vapor release. Storage areas must be secured and accessible only to trained personnel. Keep away from oxidizing agents and strong bases due to the compound's chemical structure. Regular inspection of containers and storage conditions is recommended to maintain product integrity and safety.

What to do in case of contact with S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?

Immediate action is required in case of contact with S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate due to its toxicological properties. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water and seek medical attention. If inhaled, move to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical assistance. Always consult the safety data sheet and contact emergency services when necessary.

How to properly dispose of S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate?

S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate must be disposed of through licensed hazardous waste disposal companies in accordance with local and European regulations. The substance's Aquatic Acute 1 and Aquatic Chronic 1 classifications require special environmental precautions during disposal. Never discharge into sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste. Contact local environmental authorities for specific disposal requirements and approved waste management facilities in your region.

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 goods) with Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to international dangerous goods regulations. Vehicles must display proper placarding, and drivers need ADR certification. Packaging must meet UN specification requirements and display correct hazard labels including GHS07, GHS08, and GHS09 pictograms. Consult current ADR regulations for complete transport requirements.

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 due to its hazardous classification. The substance displays Warning signal word with multiple hazard classes including Acute Tox. 4, STOT RE 2, and aquatic toxicity categories. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, proper labeling with GHS pictograms, and workplace exposure limits where applicable.

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 and intermediates. OYSI provides reliable supply chains across Europe with proper regulatory compliance and technical support. As a professional chemical distributor, OYSI ensures appropriate packaging, documentation, and safety data sheets for this regulated substance. Contact OYSI directly for availability, technical specifications, and delivery options to your specific European location.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.