Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

C15H24NO4PS

propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

CAS25311-71-1
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
25311-71-1
EC Number
246-814-1
UN Number
3018
Index Number
015-129-00-8
PubChem CID
32872

Physical-chemical properties

Molecular Formula
C15H24NO4PS
Molar Mass
345.40 g/mol
IUPAC Name
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

Chemical Identifiers

InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
InChI Key
HOQADATXFBOEGG-UHFFFAOYSA-N

Overview

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate (CAS 25311-71-1) is an organophosphorus compound with acute toxicity properties and environmental hazard characteristics. This specialized chemical substance, with the molecular formula C15H24NO4PS and a molecular weight of 345.4 g/mol, belongs to the family of phosphinothioyl derivatives commonly utilized in industrial applications. The compound features a complex structure incorporating a benzoate ester linked to a phosphorus-containing moiety, which contributes to its distinctive chemical and biological properties. Its systematic IUPAC nomenclature reflects the presence of both ethoxy and propan-2-ylamino substituents attached to the phosphinothioyl group, making it a highly functionalized organophosphorus compound. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. It carries Acute Toxicity Category 3 designations and presents significant environmental concerns with Aquatic Acute 1 and Aquatic Chronic 1 classifications. The compound displays GHS06 and GHS09 pictograms, indicating both acute toxicity and environmental hazards, with "Danger" as the signal word. Transportation falls under ADR Class 6.1, reflecting its toxic properties. Industrial applications typically include use as a specialized intermediate in organic synthesis and pharmaceutical research. The compound may also serve in agricultural chemical development, where its structural similarity to other organophosphorus compounds like diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane makes it valuable for comparative studies and derivative synthesis. Additionally, it finds application in materials science research and specialty chemical manufacturing processes. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-quality organophosphorus intermediates.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H301

Toxic 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

Toxic

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

Toxic

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 GroupII
Tunnel CodeD/E
Proper Shipping NameIsofenphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is an organophosphorus compound with the molecular formula C15H24NO4PS and CAS number 25311-71-1. This chemical substance has a molecular weight of 345.4 g/mol and contains phosphorus, sulfur, and nitrogen functional groups. It is classified as a hazardous substance due to its acute toxicity and environmental impact, requiring careful handling and appropriate safety measures during use and storage.

What are the physicochemical properties of propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is an organic compound with a molecular weight of 345.4 g/mol and the molecular formula C15H24NO4PS. As an organophosphorus compound containing ester and thioyl groups, it typically exhibits moderate stability under normal conditions. Specific physical properties such as melting point, boiling point, and solubility depend on the exact formulation and should be confirmed through technical data sheets from suppliers.

What is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate used for?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is primarily used as an active ingredient in agricultural applications, particularly as an insecticide or pesticide formulation. Its organophosphorus structure makes it effective for pest control in agricultural and horticultural settings. The compound may also be used in research and development applications for studying organophosphorus chemistry and developing new pest management solutions.

How to handle propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate safely?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate requires careful handling due to its Acute Tox. 3 classification and Danger signal word. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods, avoid skin and eye contact, and prevent inhalation. Always follow MSDS guidelines and ensure proper training before handling this hazardous substance.

How to store propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate correctly?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled with hazard information including GHS06 and GHS09 pictograms. Store separately from food, feed, and drinking water. Ensure storage areas comply with local regulations for toxic substances and maintain appropriate spill containment measures. Regular inventory checks and proper documentation are essential for compliance.

What to do in case of contact with propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Immediate action is required in case of contact with propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate due to its acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly and provide the safety data sheet to medical personnel. Never induce vomiting if ingested.

How to dispose of propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate appropriately?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Never dispose of this substance in regular waste, sewers, or water bodies. Contact certified waste management companies specialized in toxic chemical disposal. Follow local and national regulations including REACH requirements. Maintain proper documentation of disposal activities and ensure containers are properly labeled before collection.

How to transport propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating moderate toxicity requiring special transport precautions. Shipments must comply with dangerous goods regulations including proper packaging, labeling with UN numbers, and accompanying transport documents. Only certified carriers authorized for toxic substance transport should handle shipments. Ensure proper emergency response information is available and vehicles display appropriate hazard placards during transport.

Is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate subject to specific regulations?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification as Acute Tox. 3 with Danger signal word. While not currently listed as a SVHC (Substance of Very High Concern), its aquatic toxicity classification may trigger additional environmental reporting requirements. Companies must ensure compliance with pesticide regulations if used in agricultural applications and maintain proper registration, notification, and safety documentation.

Where to buy propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate in Europe?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance with full regulatory compliance documentation including safety data sheets and certificates of analysis. As a hazardous substance classified under ADR 6.1, purchase requires proper business licensing and demonstration of appropriate handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory support for your specific application requirements.

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Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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