Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

C11H17O4PS2

diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

CAS115-90-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
115-90-2
EC Number
204-114-3
UN Number
3018
Index Number
015-090-00-7
PubChem CID
8292

Physical-chemical properties

Molecular Formula
C11H17O4PS2
Molar Mass
308.40 g/mol
IUPAC Name
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

Chemical Identifiers

InChI
InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
InChI Key
XDNBJTQLKCIJBV-UHFFFAOYSA-N

Overview

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane (CAS 115-90-2) is an organophosphorus compound with potent insecticidal properties and high acute toxicity. This specialized phosphorothioate derivative represents a significant compound in agricultural chemistry, characterized by its complex molecular structure containing both phosphorus and sulfur functional groups. With the molecular formula C11H17O4PS2 and a molecular weight of 308.4 g/mol, this substance belongs to the organophosphate family known for their effectiveness as pesticides and insecticides. The compound's structure features a lambda5-phosphane core with diethoxy substituents and a methylsulfinylphenoxy group, contributing to its biological activity and stability profile. The substance exhibits extremely high toxicity, classified as Acute Tox. 1 and Acute Tox. 2 under the GHS system, requiring the "Danger" signal word and displaying both GHS06 (skull and crossbones) and GHS09 (environmental hazard) pictograms. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates severe environmental risks to aquatic organisms. Transportation falls under ADR Class 6.1, reflecting its toxic nature and requiring specialized handling protocols. Primary industrial applications include agricultural pest control formulations, where it serves as an active ingredient in insecticides targeting various crop pests. The compound is also utilized in specialized research applications for studying organophosphate mechanisms and developing new pest control strategies. Related compounds in this chemical family include tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane and ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane, which share similar structural characteristics and applications in agricultural chemistry. OYSI maintains availability of this technical-grade compound for qualified industrial customers requiring specialized organophosphate chemistry solutions.

Safety & Classification

Danger
Classification:

Acute Tox. 1; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

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

Skin Contact

Fatal

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

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 Number3018
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameFensulfothion (ISO)
Marine PollutantNo

Frequently Asked Questions

What is diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is an organophosphorus compound with the molecular formula C11H17O4PS2 and CAS number 115-90-2. This chemical substance has a molecular weight of 308.4 g/mol and belongs to the phosphorothioate family. It is classified as highly toxic with acute toxicity properties and poses significant environmental hazards to aquatic life. The compound contains phosphorus, sulfur, and oxygen functional groups, making it chemically reactive and requiring careful handling procedures.

What are the physicochemical properties of diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is a complex organophosphorus compound with distinct physicochemical characteristics. With its molecular formula C11H17O4PS2 and molecular weight of 308.4 g/mol, it contains multiple functional groups including phosphorus, sulfur, and ether linkages. The presence of both hydrophobic aromatic and hydrophilic ether groups suggests moderate solubility properties. Its chemical structure indicates potential instability under certain conditions, requiring controlled storage and handling environments.

What is diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane used for?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is primarily used in specialized industrial applications requiring organophosphorus chemistry. Its unique chemical structure makes it valuable as an intermediate in pharmaceutical synthesis, agricultural chemical production, or specialty chemical manufacturing. The compound may serve as a reagent in organic synthesis processes or as a precursor for more complex molecular structures. Due to its high toxicity classification, its applications are strictly limited to professional industrial settings with appropriate safety measures.

How to handle diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane safely?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane must be handled with extreme caution due to its Acute Tox. 1 and 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, respiratory protection, and full body coverage clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion completely. Emergency shower and eyewash stations must be readily accessible. Only trained personnel should handle this substance following strict safety protocols.

How to store diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane correctly?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light, moisture, and temperature fluctuations. Storage areas should be secured and accessible only to authorized personnel due to the substance's high toxicity. Ensure proper labeling with GHS06 and GHS09 pictograms and maintain appropriate spill containment measures. Regular inventory checks and proper segregation from other chemicals are essential for safe storage.

What to do in case of contact with diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?

Immediate action is critical in case of contact with diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane due to its high acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for 15 minutes. If ingested, do not induce vomiting. Seek immediate medical attention in all cases and provide safety data sheet to medical personnel. Call emergency services if severe symptoms develop.

How to dispose of diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane appropriately?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane must be disposed of through licensed hazardous waste disposal facilities due to its high toxicity and environmental hazard classifications. Never dispose of this substance in regular waste streams, sewers, or soil. Contact certified waste management companies specializing in toxic chemical disposal. Maintain proper documentation for waste tracking and regulatory compliance. Empty containers should also be treated as hazardous waste. Follow local, national, and EU regulations for hazardous substance disposal including proper labeling and transport requirements.

How to transport diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is classified as ADR Class 6.1 (toxic substances), Packing Group I, indicating the highest level of toxicity for transport purposes. Transportation requires UN-approved packaging, proper hazardous goods documentation, and certified dangerous goods transport. Vehicles must display appropriate hazard placards and carry emergency response information. Only trained and certified drivers can transport this substance. Special handling procedures, route planning, and emergency response capabilities are mandatory for safe transport across European networks.

Is diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane subject to specific regulations?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification standards. While not currently listed as a SVHC (Substance of Very High Concern), its Acute Tox. 1 classification and environmental hazard status place it under strict regulatory oversight. Industrial users must comply with occupational exposure limits, environmental discharge restrictions, and proper safety documentation. Import, manufacture, and use may require specific authorizations depending on quantities and applications involved.

Where to buy diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane in Europe?

Diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals. As this substance requires expert handling due to its high toxicity classification, OYSI provides professional-grade chemical supply with appropriate safety documentation, regulatory compliance support, and technical expertise. Contact OYSI directly for availability, specifications, and regulatory guidance. Due to the substance's hazardous nature, purchases are restricted to qualified industrial users with proper handling facilities and safety protocols in place.

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Data Sources

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