Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

C10H20NO4PS

propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

CAS31218-83-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
31218-83-4
EC Number
250-517-2
UN Number
3018
Index Number
015-136-00-6
PubChem CID
5372405

Physical-chemical properties

Molecular Formula
C10H20NO4PS
Molar Mass
281.31 g/mol
IUPAC Name
propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

Chemical Identifiers

InChI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
InChI Key
BZNDWPRGXNILMS-VQHVLOKHSA-N

Overview

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate (CAS 31218-83-4) is an organophosphorus compound with insecticidal properties and high aquatic toxicity. This specialized organophosphorus ester belongs to the family of phosphinothioate compounds, characterized by its complex molecular structure containing both phosphorus-sulfur and nitrogen functionalities. With a molecular formula of C10H20NO4PS and molecular weight of 281.31 g/mol, this compound demonstrates the sophisticated chemistry typical of modern agrochemical intermediates. The molecule features an isopropyl ester group linked to a butenoate backbone, which is further substituted with an ethylamino(methoxy)phosphinothioyl moiety, creating a compound with distinctive biological activity profiles. The substance presents significant safety considerations, classified under GHS pictograms GHS06 and GHS09, indicating both acute toxicity and environmental hazards. Its classification as Acute Tox. 3 with "Danger" signal word reflects its moderate acute toxicity potential, while its dual aquatic classifications (Aquatic Acute 1 and Aquatic Chronic 1) emphasize its high environmental impact potential. Transport classification under ADR Class 6.1 further confirms its toxic nature, requiring specialized handling and storage protocols. Industrial applications primarily center around agrochemical synthesis and pest control formulations, where its organophosphorus structure provides effective insecticidal activity. The compound shares functional similarities with other carbamate-based compounds such as (2-propan-2-yloxyphenyl) N-methylcarbamate, though it operates through different biochemical mechanisms. Research and development applications also utilize this compound in the synthesis of related organophosphorus derivatives. OYSI maintains reliable supply chains for this technical chemical, supporting European customers with consistent quality and regulatory compliance documentation.

Safety & Classification

Danger
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

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 GroupIII
Tunnel CodeE
Proper Shipping NamePropetamphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is an organophosphorus compound with the molecular formula C10H20NO4PS and CAS number 31218-83-4. This chemical has a molecular weight of 281.31 g/mol and belongs to the phosphinothioyl ester family. It is classified as acutely toxic and poses significant environmental hazards to aquatic organisms, requiring careful handling and specialized safety measures during use and storage.

What are the physicochemical properties of propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is a complex organophosphorus ester with a molecular weight of 281.31 g/mol. As an organophosphorus compound containing both ester and phosphinothioyl functional groups, it likely exhibits moderate polarity. The presence of the ethylamino and methoxy groups suggests potential solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization.

What is propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate used for?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. Given its organophosphorus structure, it may serve as a precursor for the development of specialized compounds in agricultural chemistry or pharmaceutical manufacturing. Its specific applications depend on its reactivity profile and the target molecules being synthesized in industrial or research settings.

How to handle propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate safely?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate requires strict safety precautions due to its Acute Tox. 3 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency washing facilities are readily available. Handle only trained personnel should work with this substance.

How to store propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate correctly?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and protected from light and moisture. Due to its acute toxicity and environmental hazards, storage areas should be secure with restricted access. Secondary containment is recommended to prevent environmental release. Regular container inspection and proper labeling according to GHS requirements are essential.

What to do in case of contact with propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate?

Immediate first aid measures are critical due to the acute toxicity of propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly for all exposures and provide safety data sheet to medical personnel.

How to dispose of propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate appropriately?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate disposal must comply with local and international hazardous waste regulations due to its toxicity and environmental impact. The substance requires treatment at authorized hazardous waste facilities equipped for organophosphorus compounds. Never dispose of through regular waste streams or down drains. Contact licensed waste management companies for proper collection and disposal. Maintain detailed disposal records for regulatory compliance and traceability.

How to transport propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. Packaging must comply with UN specifications for toxic substances, including proper labeling with GHS06 and GHS09 pictograms. Transport documents must include proper shipping names and hazard classifications. Only authorized carriers familiar with hazardous materials regulations should handle transportation, ensuring emergency response information is readily available.

Is propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate subject to particular regulations?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is subject to REACH regulation for registration and authorization within the EU. While not currently listed as a SVHC (Substance of Very High Concern), its acute toxicity and environmental hazards require compliance with CLP regulation for classification and labeling. Users must maintain safety data sheets, implement risk management measures, and may need to register depending on import/manufacturing volumes exceeding regulatory thresholds.

Where to buy propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate in Europe?

Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support for hazardous chemical products. As a regulated toxic substance, purchase requires proper business credentials and intended use documentation. Contact OYSI's technical team for availability, packaging options, and regulatory compliance guidance specific to your application requirements.

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Propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate 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.