3-oxobutyl acetate

C6H10O3

CAS10150-87-5

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Identification

CAS Number
10150-87-5
UN Number
PubChem CID
139100

Physical-chemical properties

Molecular Formula
C6H10O3
Molar Mass
130.14 g/mol
IUPAC Name
3-oxobutyl acetate

Chemical Identifiers

InChI
InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
InChI Key
NWCYECXHIYEBJE-UHFFFAOYSA-N

Overview

3-oxobutyl acetate (CAS 10150-87-5) is an organic ester compound with ketone functionality, featuring both acetate and carbonyl groups in its molecular structure. This specialty chemical compound belongs to the family of acetate esters and represents an important intermediate in organic synthesis applications. With the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol, 3-oxobutyl acetate combines the reactive properties of both ester and ketone functional groups, making it valuable for various chemical transformations and industrial processes. The compound's unique structure features an acetate group attached to a butyl chain containing a ketone functionality at the third carbon position. This dual functionality provides versatility in chemical reactions, allowing it to participate in both ester hydrolysis and ketone-specific reactions such as reduction, condensation, and nucleophilic addition reactions. The presence of both electron-withdrawing groups influences its reactivity patterns and makes it suitable for selective synthetic applications. From a safety perspective, while specific hazard classifications are not established for this compound, standard laboratory safety protocols should be observed when handling organic esters and ketones. Proper ventilation, appropriate personal protective equipment, and adherence to good chemical hygiene practices are recommended during storage and use. In industrial applications, 3-oxobutyl acetate serves as a chemical intermediate in pharmaceutical synthesis, particularly in the production of active pharmaceutical ingredients where selective functional group transformations are required. It also finds use in specialty chemical manufacturing and as a building block in organic synthesis for creating more complex molecular structures. Additionally, the compound may be employed in research and development applications where specific reactivity patterns are needed. OYSI maintains availability of 3-oxobutyl acetate for European industrial customers requiring this specialized chemical intermediate.

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 3-oxobutyl acetate?

3-oxobutyl acetate is an organic chemical compound with the molecular formula C6H10O3 and CAS number 10150-87-5. This ester compound has a molecular weight of 130.14 g/mol and belongs to the family of acetate esters. It features both ketone and ester functional groups in its structure, making it a bifunctional organic molecule with specific chemical properties and industrial applications.

What are the physicochemical properties of 3-oxobutyl acetate?

3-oxobutyl acetate is typically a colorless to pale yellow liquid at room temperature with a characteristic ester-like odor. As an acetate ester, it exhibits moderate volatility and limited water solubility due to its organic nature. The compound has a density typically lower than water and shows good solubility in organic solvents such as alcohols, ethers, and aromatic hydrocarbons.

What is 3-oxobutyl acetate used for?

3-oxobutyl acetate is primarily used as a solvent in various industrial applications, particularly in coatings, paints, and lacquers. It serves as an intermediate in organic synthesis and can be utilized in the production of specialty chemicals. The compound's dual functional groups make it valuable in chemical reactions requiring both ketone and ester functionalities, and it may also find applications in fragrance and flavor formulations.

How to handle 3-oxobutyl acetate safely?

3-oxobutyl acetate should be handled with standard organic solvent precautions including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety glasses, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction to minimize inhalation exposure. Although not classified as hazardous, avoid direct skin contact and ingestion, and ensure proper ventilation during use to prevent vapor accumulation.

How to store 3-oxobutyl acetate properly?

3-oxobutyl acetate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and ensure proper labeling for identification. Store away from strong oxidizing agents and incompatible materials. Maintain storage temperatures below 25°C when possible and ensure adequate fire protection measures are in place, following standard organic solvent storage protocols.

What to do in case of contact with 3-oxobutyl acetate?

In case of skin contact with 3-oxobutyl acetate, 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 clean water for 15 minutes and seek medical attention if irritation persists. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical advice promptly.

How to dispose of 3-oxobutyl acetate appropriately?

3-oxobutyl acetate waste should be disposed of in accordance with local and national environmental regulations. The compound should be treated as organic chemical waste and sent to licensed waste treatment facilities. Do not discharge into drains, waterways, or soil. Small quantities may be suitable for solvent recovery or incineration at appropriate facilities. Consult with local waste management authorities for specific disposal requirements in your region.

How to transport 3-oxobutyl acetate?

3-oxobutyl acetate can be transported using standard chemical shipping procedures as it does not appear to have specific ADR classification requirements. Use appropriate packaging materials compatible with organic solvents, ensuring containers are properly sealed and labeled with correct identification and safety information. Follow general chemical transport regulations and ensure proper documentation accompanies shipments. Consult with logistics providers for specific packaging and documentation requirements.

Is 3-oxobutyl acetate subject to specific regulations?

3-oxobutyl acetate is subject to general chemical regulations including REACH registration requirements in Europe. The compound is not classified as a Substance of Very High Concern (SVHC) and does not have specific GHS hazard classifications. However, it must comply with standard chemical safety data sheet requirements, proper labeling, and workplace safety regulations. Users should maintain appropriate risk assessments and safety documentation for industrial use.

Where to buy 3-oxobutyl acetate in Europe?

3-oxobutyl acetate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for industrial customers across Europe, ensuring proper documentation, quality standards, and regulatory compliance. Contact OYSI directly for availability, specifications, packaging options, and delivery throughout European markets. Their technical support team can assist with product selection and application guidance for your specific requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.