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 characterized by its ketone-acetate dual functionality and moderate molecular weight of 130.14 g/mol. This chemical compound represents a specialized ester derivative that combines both ketone and acetate functional groups within its molecular structure. With the molecular formula C6H10O3, 3-oxobutyl acetate belongs to the family of acetate esters, specifically featuring a three-carbon chain with a ketone group at the third position from the acetate functionality. The compound's unique structural arrangement makes it particularly valuable in various industrial applications where both ester and ketone properties are desired. The substance exhibits typical characteristics of acetate esters, including moderate volatility and solubility properties that make it suitable for specialized chemical processes. As an ester compound, it demonstrates the expected chemical behavior of this functional group, including susceptibility to hydrolysis under acidic or basic conditions and participation in transesterification reactions. The presence of the ketone group adds additional reactivity, enabling the compound to participate in carbonyl chemistry reactions such as nucleophilic additions and condensations. In industrial applications, 3-oxobutyl acetate serves primarily as a chemical intermediate in organic synthesis processes, particularly in the production of more complex molecules where its dual functionality proves advantageous. The compound finds use in specialty chemical manufacturing and as a building block in pharmaceutical intermediate synthesis. Additionally, it may be employed in certain solvent applications where its specific polarity and volatility characteristics are required. OYSI maintains reliable supply chains for 3-oxobutyl acetate to support 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. It belongs to the family of acetate esters and contains both ketone and ester functional groups in its structure. With a molecular weight of 130.14 g/mol, this compound is characterized by its acetate group attached to a 3-oxobutyl chain, making it useful in various chemical applications requiring both ester and ketone functionalities.

What are the physicochemical properties of 3-oxobutyl acetate?

3-oxobutyl acetate is a colorless to pale yellow liquid at room temperature with a characteristic ester-like odor. The compound has a molecular weight of 130.14 g/mol and contains both polar ester and ketone groups, making it moderately soluble in water and highly soluble in organic solvents such as alcohols, ethers, and hydrocarbons. Its dual functional groups provide versatile solubility characteristics suitable for various chemical processes.

What is 3-oxobutyl acetate used for?

3-oxobutyl acetate serves as a versatile chemical intermediate in organic synthesis and industrial applications. It is commonly used as a solvent in coating formulations, inks, and adhesives due to its excellent solvency properties. The compound also functions as a chemical intermediate in the production of pharmaceuticals, fragrances, and specialty chemicals, where both its ester and ketone functionalities can be utilized in further chemical transformations.

How to handle 3-oxobutyl acetate safely?

3-oxobutyl acetate should be handled using standard laboratory safety practices including wearing appropriate personal protective equipment such as safety glasses, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation of vapors. Keep away from heat sources, sparks, and open flames as the compound may be flammable. Always ensure proper grounding when transferring the material to prevent static discharge.

How to store 3-oxobutyl acetate correctly?

3-oxobutyl acetate 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 and properly labeled in areas with temperatures below 25°C to maintain product stability. Store away from strong oxidizing agents, acids, and bases that may cause unwanted reactions. Ensure storage areas are equipped with appropriate spill containment measures and fire protection systems.

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

In case of skin contact with 3-oxobutyl acetate, immediately wash the affected area with plenty of soap and water for at least 15 minutes. If eye contact occurs, flush thoroughly with clean water for 15 minutes while holding eyelids open. In case of inhalation, move the person to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

How to dispose of 3-oxobutyl acetate properly?

3-oxobutyl acetate waste must be disposed of according to local, regional, and national environmental regulations. The compound should be treated as chemical waste and handed over to licensed waste disposal companies for proper treatment or incineration. Do not discharge into drains, waterways, or soil. Empty containers should be triple-rinsed and disposed of according to local regulations for chemical packaging waste. Always consult local authorities for specific disposal requirements.

How to transport 3-oxobutyl acetate?

3-oxobutyl acetate transportation should follow general chemical shipping guidelines and local transportation regulations. Use appropriate packaging materials compatible with the chemical, ensuring containers are properly sealed and labeled with the correct identification information. Vehicles should be properly equipped for chemical transport with appropriate safety equipment. Check with transportation authorities for any specific requirements regarding documentation, routing restrictions, or driver certification needs.

Is 3-oxobutyl acetate subject to particular regulations?

3-oxobutyl acetate is subject to standard chemical regulations including REACH registration requirements in Europe for quantities above specified thresholds. The compound is not classified as a Substance of Very High Concern (SVHC) under REACH regulations. Users should comply with CLP regulation requirements for classification, labeling, and packaging. Always check the latest Safety Data Sheet and consult local chemical regulatory authorities for the most current regulatory status and requirements.

Where to buy 3-oxobutyl acetate in Europe?

3-oxobutyl acetate is available through OYSI, a specialized European distributor of technical chemicals serving various industries across Europe. OYSI provides reliable supply chains and technical support for chemical products including specialty organic compounds. Contact OYSI directly to inquire about availability, specifications, packaging options, and delivery to your location. Professional chemical distributors ensure proper handling, documentation, and regulatory compliance for industrial chemical purchases.

Data Sources

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