[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
C8H16NO5P
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Identification
- CAS Number
- 141-66-2
- EC Number
- 205-494-3
- UN Number
- 3018
- Index Number
- 015-073-00-4
- PubChem CID
- 5371560
Physical-chemical properties
- Molecular Formula
- C8H16NO5P
- Molar Mass
- 237.19 g/mol
- IUPAC Name
- [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Chemical Identifiers
- InChI
- InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
- InChI Key
- VEENJGZXVHKXNB-VOTSOKGWSA-N
Overview
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate (CAS 141-66-2) is an organophosphorus compound with acute toxicity properties and significant environmental impact potential. This specialized organophosphate ester represents an important class of phosphorus-containing chemicals widely utilized in various industrial applications. With the molecular formula C8H16NO5P and a molecular weight of 237.19 g/mol, this compound features both phosphate and amide functional groups, contributing to its unique chemical reactivity profile. The presence of the dimethylamino group and the conjugated butenyl chain gives this molecule distinctive properties that make it valuable for specific technical applications. From a safety perspective, [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate requires careful handling protocols due to its classification as Acute Tox. 2 and Acute Tox. 3, indicating high toxicity potential through multiple exposure routes. The compound also presents significant aquatic toxicity concerns, classified as both Aquatic Acute 1 and Aquatic Chronic 1, necessitating strict environmental controls during storage, handling, and disposal. The GHS06 and GHS09 pictograms emphasize the dual hazards of acute toxicity and environmental danger, while the ADR Class 6.1 classification governs its transportation requirements. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialized catalyst systems, and agricultural chemistry formulations. This compound shares structural similarities with other organophosphorus chemicals such as diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane, though each offers distinct reactivity profiles for different applications. OYSI maintains reliable supply chains for this technical-grade organophosphate compound, supporting European industrial customers with consistent quality and comprehensive regulatory documentation.
Safety & Classification
Acute Tox. 3 *; 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 | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Dicrotophos (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is an organophosphorus compound with the molecular formula C8H16NO5P and CAS number 141-66-2. This chemical substance has a molecular weight of 237.19 g/mol and belongs to the class of phosphate esters. It is classified as a highly toxic substance requiring careful handling due to its acute toxicity properties and environmental hazards to aquatic ecosystems.
What are the physicochemical properties of [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is an organic compound with a molecular mass of 237.19 g/mol and the formula C8H16NO5P. The substance contains both phosphate and amide functional groups, making it polar in nature. As an organophosphorus compound, it likely exhibits moderate to good solubility in polar solvents. The presence of the E-configuration indicates a specific geometric arrangement around the double bond in its structure.
What is [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate used for?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is typically used as an intermediate in chemical synthesis and manufacturing processes. Given its organophosphorus structure, it may serve applications in pharmaceutical synthesis, agricultural chemical production, or as a specialized reagent in organic chemistry. Its specific molecular structure makes it valuable for targeted chemical transformations where phosphate ester functionality is required in industrial or research applications.
How to handle [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate safely?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate requires strict safety protocols due to its Acute Tox. 2 and 3 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods to prevent inhalation exposure. Emergency shower and eyewash stations must be accessible. Personnel must be trained in handling highly toxic substances and emergency response procedures.
How to store [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate correctly?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The substance should be kept in original, tightly sealed containers in a secure chemical storage facility with restricted access. Due to its high toxicity and environmental hazards, storage areas require appropriate containment measures, temperature control, and compliance with local regulations for toxic substance storage.
What to do in case of contact with [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate exposure requires immediate action due to its high toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with plenty of water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical assistance. Always consult emergency services for exposure incidents.
How to dispose of [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate appropriately?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate must be disposed of as hazardous waste through licensed waste management companies due to its high toxicity and environmental impact. The substance cannot be discharged into sewers or the environment due to its Aquatic Acute 1 and Chronic 1 classifications. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Professional hazardous waste disposal services are mandatory.
How to transport [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating moderate to high toxicity during transport. Transportation requires UN-approved packaging, proper labeling with GHS06 and GHS09 pictograms, and 'Danger' signal word. Drivers must hold ADR certification for Class 6.1 substances. Transport documentation must include safety data sheets and emergency response information. Vehicles require appropriate placarding and emergency equipment.
Is [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate subject to specific regulations?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification as Acute Tox. 2*/3* with aquatic toxicity classifications. While not currently listed as an SVHC substance, it requires safety data sheets, proper labeling with GHS pictograms, and compliance with occupational exposure limits. The substance may be subject to additional restrictions depending on intended use and local regulations.
Where to buy [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate in Europe?
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this highly regulated substance to qualified industrial customers with proper handling capabilities and regulatory compliance. As a professional chemical distributor, OYSI ensures full documentation, safety data sheets, and regulatory compliance for this toxic substance. Contact OYSI directly for availability, specifications, and purchasing requirements for professional applications.
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ADR Consulting for [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.