Tert-butyl propanoate
C7H14O2
tert-butyl propanoate
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Identification
- CAS Number
- 20487-40-5
- UN Number
- 3272
- Index Number
- 607-697-00-6
- PubChem CID
- 88561
Physical-chemical properties
- Molecular Formula
- C7H14O2
- Molar Mass
- 130.18 g/mol
- IUPAC Name
- tert-butyl propanoate
Chemical Identifiers
- InChI
- InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3
- InChI Key
- JAELLLITIZHOGQ-UHFFFAOYSA-N
Overview
Tert-butyl propanoate (CAS 20487-40-5) is an organic ester compound characterized by its branched alkyl structure and flammable properties. This chemical substance belongs to the family of aliphatic esters, formed through the esterification of propanoic acid with tert-butanol. With its molecular formula C7H14O2 and molecular weight of 130.18 g/mol, tert-butyl propanoate exhibits typical ester characteristics including a distinctive fruity odor and moderate volatility. The compound's tert-butyl group provides steric hindrance, which influences its reactivity patterns and physical properties compared to linear ester analogs. As a Class 2 flammable liquid under GHS classification, tert-butyl propanoate requires careful handling and storage protocols. The substance carries the danger signal word and displays the GHS02 flame pictogram, indicating significant fire hazards. Under ADR transport regulations, it falls under Class 3 dangerous goods, necessitating appropriate packaging and documentation for shipment. Safety measures must include proper ventilation, ignition source control, and emergency response procedures. Industrial applications of tert-butyl propanoate primarily center around its use as a solvent in coating formulations, where its controlled evaporation rate and solvency properties prove valuable. The compound also serves as an intermediate in organic synthesis and finds application in specialty chemical manufacturing. Its properties make it particularly useful in formulations requiring specific volatility characteristics, similar to how ethyl propanoate functions in related applications, though the branched structure of tert-butyl propanoate provides distinct performance advantages. OYSI maintains reliable supply chains for tert-butyl propanoate, ensuring consistent availability for European industrial customers requiring this specialized ester compound for their technical applications.
Safety & Classification
Flam. Liq. 2
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Highly flammable liquid and vapour.
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
Transport (ADR)
| UN Number | 3272 |
| ADR Class | 3 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | tert-Butylpropionat |
| Marine Pollutant | No |
Frequently Asked Questions
What is tert-butyl propanoate?
Tert-butyl propanoate is an organic ester compound with the molecular formula C7H14O2 and CAS number 20487-40-5. This chemical substance has a molecular weight of 130.18 g/mol and belongs to the class of carboxylic acid esters. It is formed by the esterification of propanoic acid with tert-butanol. The compound is classified as a flammable liquid under GHS regulations and requires careful handling due to its fire hazard properties.
What are the physicochemical properties of tert-butyl propanoate?
Tert-butyl propanoate is a colorless liquid at room temperature with a characteristic fruity ester odor. As an ester, it exhibits limited solubility in water but is readily soluble in organic solvents such as alcohols, ethers, and hydrocarbons. The compound has a relatively low boiling point typical of branched esters and displays moderate volatility. Its physical properties make it suitable for various industrial applications where organic solvent characteristics are required.
What is tert-butyl propanoate used for?
Tert-butyl propanoate is primarily used as a solvent in industrial applications, particularly in coatings, paints, and varnish formulations. It serves as an intermediate in organic synthesis and chemical manufacturing processes. The compound is also utilized in the production of specialty chemicals and may be employed as a flavoring agent in certain applications due to its fruity ester characteristics. Its solvent properties make it valuable in extraction processes and chemical reactions requiring organic media.
How to handle tert-butyl propanoate safely?
Tert-butyl propanoate must be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing due to its Flam. Liq. 2 classification. Work in well-ventilated areas or under fume extraction to prevent vapor accumulation. Keep away from ignition sources, heat, and flames. Use non-sparking tools and ensure proper grounding of equipment. Avoid direct skin and eye contact, and do not inhale vapors or mist.
How to store tert-butyl propanoate correctly?
Tert-butyl propanoate should be stored in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Use appropriate fire-resistant storage cabinets for flammable liquids. Keep containers tightly sealed when not in use to prevent evaporation and contamination. Store away from strong oxidizing agents and incompatible materials. Maintain storage temperatures below the compound's flash point and ensure adequate fire suppression systems are available in storage areas.
What to do in case of contact with tert-butyl propanoate?
In case of skin contact with tert-butyl propanoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist.
How to dispose of tert-butyl propanoate properly?
Tert-butyl propanoate waste must be disposed of in accordance with local, national, and international environmental regulations. The substance should be collected in appropriate containers and handed over to licensed waste management companies for proper treatment or incineration. Do not discharge into drains, waterways, or soil. Small quantities may be suitable for solvent recovery processes. Always consult local environmental authorities for specific disposal requirements and approved waste disposal facilities in your region.
How to transport tert-butyl propanoate?
Tert-butyl propanoate is classified under ADR Class 3 (flammable liquids), Packing Group II, requiring specific transport regulations. It must be packaged in UN-approved containers with proper labeling including GHS02 pictogram and 'Danger' signal word. Transport vehicles must comply with ADR requirements for Class 3 substances. Drivers need appropriate ADR training certificates. Shipping documents must include proper shipping name, UN number, and hazard class information according to dangerous goods transport regulations.
Is tert-butyl propanoate subject to specific regulations?
Tert-butyl propanoate is subject to various European chemical regulations including REACH registration requirements and CLP classification and labeling regulations. It is classified as Flam. Liq. 2 under CLP with mandatory GHS02 pictogram and 'Danger' signal word. The substance is not currently listed as a SVHC (Substance of Very High Concern). Manufacturers and importers must comply with REACH obligations, and users must follow CLP hazard communication requirements including safety data sheet provisions.
Where to buy tert-butyl propanoate in Europe?
Tert-butyl propanoate is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. OYSI provides quality chemical products with proper documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European regulations and offers technical support for industrial applications. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.