Methyl 3-dimethoxyphosphoryloxybut-2-enoate
C7H13O6P
methyl 3-dimethoxyphosphoryloxybut-2-enoate
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Identification
- CAS Number
- 7786-34-7
- EC Number
- 232-095-1
- UN Number
- 3018
- Index Number
- 015-020-00-5
- PubChem CID
- 9560
Physical-chemical properties
- Molecular Formula
- C7H13O6P
- Molar Mass
- 224.15 g/mol
- IUPAC Name
- methyl 3-dimethoxyphosphoryloxybut-2-enoate
Chemical Identifiers
- InChI
- InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
- InChI Key
- GEPDYQSQVLXLEU-UHFFFAOYSA-N
Overview
Methyl 3-dimethoxyphosphoryloxybut-2-enoate (CAS 7786-34-7) is an organophosphorus compound with high acute toxicity and significant environmental impact potential. This specialized organophosphate ester represents a critical intermediate in chemical synthesis, characterized by its unique structural combination of a phosphate group with dimethoxy substituents and an α,β-unsaturated ester functionality. The compound's molecular formula C7H13O6P reflects its complex architecture, incorporating both phosphorus-oxygen bonds and an conjugated carbon framework that contributes to its reactivity profile. The substance exhibits extremely high acute toxicity, classified under Acute Tox. 1 and Acute Tox. 2 categories, requiring stringent handling protocols and specialized safety equipment. Its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates severe hazards to aquatic ecosystems, necessitating careful containment and disposal procedures. The ADR Class 6.1 classification underscores the toxic nature of this material during transportation, while GHS06 and GHS09 pictograms clearly communicate both acute toxicity and environmental dangers. In industrial applications, methyl 3-dimethoxyphosphoryloxybut-2-enoate serves primarily as a synthetic intermediate in pharmaceutical manufacturing and specialized agrochemical production. Its reactivity makes it valuable in organic synthesis pathways requiring selective phosphorylation reactions. The compound shares structural similarities with other organophosphorus compounds like diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane, though each exhibits distinct reactivity patterns suited to specific synthetic applications. Due to its hazardous nature, this compound requires specialized handling expertise and regulatory compliance throughout the supply chain. OYSI maintains strict quality standards and safety protocols for the distribution of this high-hazard organophosphorus intermediate to qualified industrial users.
Safety & Classification
Acute Tox. 1; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
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 Number | 3018 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Mevinphos (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 3-dimethoxyphosphoryloxybut-2-enoate?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is an organophosphorus compound with the molecular formula C7H13O6P and CAS number 7786-34-7. This chemical substance has a molecular weight of 224.15 g/mol and belongs to the category of phosphate esters. It is classified as highly toxic with acute toxicity categories 1 and 2, requiring extreme caution during handling. The compound also poses significant environmental hazards to aquatic ecosystems.
What are the physicochemical properties of methyl 3-dimethoxyphosphoryloxybut-2-enoate?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is a phosphate ester compound with a molecular weight of 224.15 g/mol. As an organophosphorus derivative, it typically exists as a liquid at room temperature with characteristic ester properties. The compound contains both phosphate and carboxyl ester functional groups, which influence its solubility and reactivity. Specific physical properties such as boiling point, density, and exact solubility parameters should be confirmed through technical documentation.
What is methyl 3-dimethoxyphosphoryloxybut-2-enoate used for?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Due to its organophosphorus structure, it serves as a building block for more complex molecules in specialized chemical applications. The compound may also find use in academic research settings for studying phosphate ester chemistry. Its high toxicity classification limits its applications to professional and industrial use only.
How to handle methyl 3-dimethoxyphosphoryloxybut-2-enoate safely?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate requires extreme safety precautions due to its Acute Tox. 1 classification and GHS06 pictogram. Personal protective equipment must include chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion at all costs. Only trained personnel should handle this substance following strict safety protocols and emergency procedures.
How to store methyl 3-dimethoxyphosphoryloxybut-2-enoate correctly?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The storage area should be secured and accessible only to authorized personnel due to its high toxicity. Containers must be tightly sealed and properly labeled with appropriate hazard warnings. Regular inspection of storage containers is essential to prevent leaks. Environmental controls should prevent exposure to moisture and extreme temperatures.
What to do in case of contact with methyl 3-dimethoxyphosphoryloxybut-2-enoate?
Immediate medical attention is required for any contact with methyl 3-dimethoxyphosphoryloxybut-2-enoate due to its Acute Tox. 1 classification. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush thoroughly with water and seek immediate medical care. If inhaled, move to fresh air immediately. Never induce vomiting if ingested. Contact emergency services and provide safety data sheet information.
How to dispose of methyl 3-dimethoxyphosphoryloxybut-2-enoate properly?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate must be disposed of as hazardous waste through licensed waste management companies. Due to its high toxicity and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1), special treatment is required before disposal. Incineration at high temperatures in specialized facilities is typically the preferred method. Never dispose of this substance through regular waste streams or sewage systems. Follow local and European waste regulations strictly.
How to transport methyl 3-dimethoxyphosphoryloxybut-2-enoate?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is classified under ADR Class 6.1, Packing Group I, indicating it is a highly toxic substance for transport purposes. Specialized packaging meeting UN specifications is required, along with appropriate hazard labels and documentation. Transport must comply with ADR regulations for dangerous goods. Only certified carriers experienced in handling toxic materials should transport this substance. Emergency response information must accompany all shipments.
Is methyl 3-dimethoxyphosphoryloxybut-2-enoate subject to specific regulations?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is subject to European CLP regulation due to its hazard classifications including Acute Tox. 1, Acute Tox. 2, and aquatic toxicity categories. It falls under REACH regulation requirements for registration, evaluation, and authorization. The substance is not currently listed as SVHC (Substance of Very High Concern). Transport regulations under ADR Class 6.1 also apply. Users must comply with occupational safety regulations and waste disposal requirements.
Where to buy methyl 3-dimethoxyphosphoryloxybut-2-enoate in Europe?
Methyl 3-dimethoxyphosphoryloxybut-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. As a highly toxic substance requiring professional handling, it is only supplied to qualified industrial and research customers with appropriate safety infrastructure. OYSI ensures compliance with European regulations and provides necessary documentation including safety data sheets. Contact OYSI directly to discuss availability, specifications, and regulatory requirements for your specific application needs.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.