Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

C7H13O5PS

methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

CAS30864-28-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
30864-28-9
EC Number
250-366-2
UN Number
3082
Index Number
015-156-00-5
PubChem CID
3034435

Physical-chemical properties

Molecular Formula
C7H13O5PS
Molar Mass
240.22 g/mol
IUPAC Name
methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

Chemical Identifiers

InChI
InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+
InChI Key
NTAHCMPOMKHKEU-AATRIKPKSA-N

Overview

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate (CAS 30864-28-9) is an organophosphorus compound with ester functionality and moderate toxicity properties. This specialized chemical compound belongs to the organophosphorus ester family and features a complex molecular structure containing both phosphorus and sulfur atoms. With a molecular weight of 240.22 g/mol and the formula C7H13O5PS, this substance exhibits unique chemical properties that make it valuable for specific industrial applications. The compound is registered under EC number 250-366-2 and is classified under ADR transport class 9 for miscellaneous dangerous substances. From a safety perspective, methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate carries several important hazard classifications. It is designated as Acute Toxicity Category 4, indicating moderate toxicity upon exposure, and Skin Sensitizer Category 1, meaning it can cause allergic skin reactions. Additionally, the compound poses significant environmental risks with Aquatic Acute 1 and Aquatic Chronic 1 classifications, requiring careful handling to prevent water contamination. The GHS07 and GHS09 pictograms reflect these health and environmental hazards, accompanied by a "Warning" signal word. The compound finds applications in specialized chemical synthesis, particularly in the development of phosphorus-containing intermediates and as a reagent in organic transformations. Its unique structure makes it valuable for research applications and potentially in the synthesis of more complex organophosphorus compounds. While structurally different from related compounds like 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, both share applications in specialized chemical synthesis processes. OYSI provides this technical-grade compound to European industrial customers requiring reliable access to specialized organophosphorus chemistry building blocks.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

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

Irritant

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

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameMethacrifos (ISO), cis/trans-Isomere oder Isomerengemisch
Marine PollutantNo

Frequently Asked Questions

What is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is an organophosphorus compound with CAS number 30864-28-9 and molecular formula C7H13O5PS. This chemical substance has a molecular weight of 240.22 g/mol and belongs to the class of phosphinothioate esters. It is classified as moderately hazardous with acute toxicity category 4, skin sensitization properties, and high aquatic toxicity. The compound requires careful handling due to its potential health and environmental risks.

What are the physicochemical properties of methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is an organic compound with molecular formula C7H13O5PS and molecular weight 240.22 g/mol. As an organophosphorus ester, it typically exists as a liquid at room temperature. The compound contains both phosphorus and sulfur atoms in its structure, which influences its chemical reactivity and stability. Specific physical properties such as boiling point, density, and solubility depend on storage conditions and require consultation of detailed safety data sheets.

What is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate used for?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. The compound serves as a building block for the development of more complex molecules due to its reactive phosphinothioate group. It may also find applications in agrochemical research and specialty chemical manufacturing. Given its hazardous classification, its use is typically restricted to professional and industrial applications requiring appropriate safety measures and expertise.

How to handle methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate safely?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound displays GHS07 and GHS09 pictograms, indicating health and environmental hazards. Always follow workplace safety protocols and consult the safety data sheet before handling.

How to store methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate correctly?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed and use chemically compatible materials for storage vessels. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release and store away from water sources. Maintain appropriate separation from incompatible materials and ensure storage areas are equipped with spill containment measures. Regular inspection of containers is recommended.

What to do in case of contact with methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?

In case of skin contact with methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. For eye contact, flush with clean water and seek immediate medical attention. If inhaled, move to fresh air and monitor breathing. Given its Acute Tox. 4 classification and skin sensitization potential, seek medical advice promptly after any exposure. Never induce vomiting if ingested and contact poison control immediately.

How to dispose of methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate properly?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate must be disposed of as hazardous waste through licensed waste management companies due to its toxic and environmentally hazardous properties. The compound's Aquatic Acute 1 and Aquatic Chronic 1 classifications require special attention to prevent environmental contamination. Never discharge into drains, soil, or water bodies. Follow local and national waste disposal regulations, and ensure proper documentation of waste disposal. Consider waste minimization strategies and recovery options where technically feasible.

How to transport methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must carry proper placards and emergency information. Transport containers must be suitable for Class 9 substances and properly sealed to prevent leakage. Drivers require dangerous goods training certification, and emergency response procedures must be readily available during transport.

Is methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate subject to specific regulations?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The compound is not currently listed as a Substance of Very High Concern (SVHC), but its hazardous properties require compliance with occupational safety regulations and environmental protection laws. Users must maintain safety data sheets, implement risk management measures, and ensure proper worker training. Export/import may require additional permits depending on destination countries and local chemical control laws.

Where to buy methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate in Europe?

Methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for research and industrial customers across Europe, ensuring compliance with local regulations and proper handling requirements. As a hazardous substance requiring professional expertise, the compound is typically available to qualified industrial users and research institutions. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for your specific application requirements.

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Data Sources

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