Diethyl propanedioate
C7H12O4
diethyl propanedioate
Consulting for Diethyl propanedioate
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Identification
- CAS Number
- 105-53-3
- EC Number
- 203-305-9
- UN Number
- PubChem CID
- 7761
Physical-chemical properties
- Molecular Formula
- C7H12O4
- Molar Mass
- 160.17 g/mol
- IUPAC Name
- diethyl propanedioate
Chemical Identifiers
- InChI
- InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
- InChI Key
- IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Overview
Diethyl propanedioate (CAS 105-53-3) is a dicarboxylic acid diester with excellent solvent properties and chemical synthesis versatility. Also known as diethyl malonate, this organic compound serves as a fundamental building block in organic chemistry and industrial applications. With the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol, diethyl propanedioate appears as a colorless liquid with a characteristic mild odor. The compound exhibits good solubility in organic solvents and demonstrates stability under normal storage conditions, making it a reliable intermediate for various chemical processes. The substance's chemical structure features two ethyl ester groups attached to a central propanedioic acid backbone, providing reactive sites for nucleophilic substitution reactions and condensation processes. This structural arrangement makes it particularly valuable in synthetic organic chemistry, where it functions as an alkylating agent and carbon chain extender. The compound's relatively low volatility and thermal stability contribute to its practical handling characteristics in industrial settings. Key industrial applications include pharmaceutical intermediate synthesis, where diethyl propanedioate serves in the production of barbiturates and other therapeutic compounds. The chemical industry utilizes it as a precursor for specialty chemicals and polymer additives, while the agrochemical sector employs it in the synthesis of various crop protection products. Its role as a solvent and plasticizer in specialty formulations further demonstrates its industrial versatility. Given its classification as a non-hazardous substance with no specific GHS pictograms or signal words required, diethyl propanedioate presents minimal handling concerns under standard industrial practices. OYSI maintains reliable supply chains for diethyl propanedioate to support European industrial customers' technical chemical requirements.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Frequently Asked Questions
What is diethyl propanedioate?
Diethyl propanedioate is an organic chemical compound with the molecular formula C7H12O4 and CAS number 105-53-3. It is the diethyl ester of malonic acid (propanedioic acid), featuring two ethyl ester groups attached to a central carbon atom. With a molecular weight of 160.17 g/mol, this compound is commonly known as diethyl malonate and serves as an important building block in organic synthesis.
What are the physicochemical properties of diethyl propanedioate?
Diethyl propanedioate is typically a colorless liquid at room temperature with a characteristic fruity odor. It has limited solubility in water but is readily soluble in organic solvents such as ethanol, ether, and acetone. The compound exhibits typical ester properties including reactivity toward nucleophiles and the ability to undergo hydrolysis under acidic or basic conditions.
What is diethyl propanedioate used for?
Diethyl propanedioate is primarily used as a synthetic intermediate in organic chemistry and pharmaceutical manufacturing. It serves as a key reagent in malonic ester synthesis for producing carboxylic acids, barbiturates, and various pharmaceutical compounds. The chemical industry also utilizes it in the synthesis of dyes, perfumes, and other specialty chemicals due to its reactive methylene group.
How to handle diethyl propanedioate safely?
Diethyl propanedioate should be handled using standard laboratory safety practices including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation of vapors. Avoid contact with skin and eyes, and prevent ingestion. Keep away from heat sources and open flames.
How to store diethyl propanedioate correctly?
Diethyl propanedioate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Keep containers upright to prevent leakage and store away from strong oxidizing agents and bases. Maintain storage temperatures below 25°C and ensure proper labeling. Check containers regularly for signs of deterioration or leakage.
What to do in case of contact with diethyl propanedioate?
In case of skin contact with diethyl propanedioate, immediately wash the affected area with soap and plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Remove contaminated clothing and wash before reuse.
How to dispose of diethyl propanedioate appropriately?
Diethyl propanedioate waste should be disposed of according to local and national environmental regulations. Small quantities can often be treated through controlled incineration at licensed hazardous waste facilities. Do not discharge into drains, waterways, or soil. Contact certified waste disposal companies for proper collection and treatment. Keep waste properly labeled and segregated from incompatible materials until disposal.
How to transport diethyl propanedioate?
Diethyl propanedioate can be transported following standard chemical shipping procedures as it does not carry specific ADR dangerous goods classification. Use appropriate packaging materials that are compatible with the chemical and prevent leakage during transport. Ensure proper labeling with chemical name, hazard information, and handling instructions. Follow carrier-specific requirements and maintain proper documentation for shipment tracking.
Is diethyl propanedioate subject to specific regulations?
Diethyl propanedioate is regulated under standard chemical legislation including REACH registration requirements in Europe. It is not classified as a Substance of Very High Concern (SVHC) and does not require special authorization under REACH. However, standard workplace safety regulations apply, and users must comply with local occupational health and safety requirements and proper chemical management practices.
Where to buy diethyl propanedioate in Europe?
Diethyl propanedioate is available through OYSI, a European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides quality chemical products with proper documentation and regulatory compliance. Contact OYSI directly for availability, specifications, packaging options, and delivery to your location. Other chemical suppliers and specialty distributors may also carry this compound for various applications.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.