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 flammable properties and distinctive fruity odor. This chemical substance belongs to the family of alkyl propanoates, where the propanoic acid is esterified with tert-butanol to form a branched ester structure. The compound presents as a colorless liquid with a molecular weight of 130.18 g/mol and the molecular formula C7H14O2. Its tertiary butyl group provides unique steric properties that distinguish it from linear esters like ethyl propanoate, offering different solubility characteristics and reactivity profiles. From a safety perspective, tert-butyl propanoate is classified as a Category 2 flammable liquid under GHS regulations, requiring careful handling and storage away from ignition sources. The compound carries the "Danger" signal word and displays the GHS02 flame pictogram, indicating its fire hazard potential. Transport classification under ADR Class 3 further emphasizes the need for appropriate safety measures during handling and logistics operations. The compound finds applications primarily in the chemical industry as a solvent and intermediate in organic synthesis processes. Its ester functionality makes it valuable in the production of specialty chemicals and as a component in formulated products where controlled evaporation rates are required. Additionally, it serves as a building block in pharmaceutical and agrochemical synthesis, where its branched structure provides specific reactivity advantages over linear alternatives. OYSI maintains reliable supply chains for tert-butyl propanoate, ensuring consistent availability of this specialized ester for European industrial customers requiring high-quality chemical intermediates.
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 chemical compound with the molecular formula C7H14O2 and CAS number 20487-40-5. It belongs to the ester family, formed by the reaction between propanoic acid and tert-butanol. With a molecular weight of 130.18 g/mol, this compound is classified as a flammable liquid (Flam. Liq. 2) 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 typically a clear, colorless liquid at room temperature with a characteristic fruity ester odor. As an ester compound, it exhibits limited solubility in water but is generally soluble in organic solvents such as alcohols and hydrocarbons. The compound has a relatively low boiling point due to its ester structure and displays typical properties of aliphatic esters including moderate volatility.
What is tert-butyl propanoate used for?
Tert-butyl propanoate is primarily used as a solvent in various industrial applications, particularly in coatings, paints, and adhesives 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 can function as a flavoring agent in certain applications due to its pleasant fruity odor characteristic of esters.
How to handle tert-butyl propanoate safely?
Tert-butyl propanoate must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent vapor accumulation. Eliminate all ignition sources as the compound is classified as Flam. Liq. 2. Avoid skin and eye contact, and ensure emergency washing facilities are readily available during handling operations.
How to store tert-butyl propanoate correctly?
Tert-butyl propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Storage areas must be equipped with appropriate fire suppression systems due to its flammable nature (Class 3 ADR). Keep containers away from incompatible materials such as strong oxidizing agents and store in areas with temperature control to prevent vapor buildup.
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, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention promptly.
How to dispose of tert-butyl propanoate appropriately?
Tert-butyl propanoate waste must be disposed of according to local, national, and European waste regulations as a flammable liquid waste. The compound should be collected in appropriate containers and handed over to licensed waste disposal companies specializing in chemical waste treatment. Incineration at approved high-temperature facilities is typically the preferred disposal method. Never dispose of this substance down drains or in regular waste streams.
How to transport tert-butyl propanoate?
Tert-butyl propanoate is classified under ADR Class 3 (flammable liquids), Packing Group II, requiring specific transport packaging and labeling according to dangerous goods regulations. Packages must display the appropriate hazard labels and UN identification numbers. Transportation vehicles must comply with ADR requirements including proper ventilation, fire extinguishing equipment, and driver certification for dangerous goods transport. Special routing restrictions may apply in certain areas.
Is tert-butyl propanoate subject to specific regulations?
Tert-butyl propanoate is subject to European CLP regulation requiring classification as Flam. Liq. 2 with danger signal word and GHS02 pictogram. Under REACH regulation, it requires registration for manufacture or import above certain tonnages. The compound is not classified as a Substance of Very High Concern (SVHC). Standard industrial chemical regulations apply regarding workplace exposure limits, safety data sheet requirements, and professional use restrictions.
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. As a professional chemical supplier, OYSI provides high-quality tert-butyl propanoate with complete documentation including safety data sheets and certificates of analysis. Contact OYSI's technical sales team for availability, specifications, packaging options, and delivery to your location within Europe for industrial applications.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.