Methyl 4-tert-Butylbenzoate: Detailed Product Description

What is Methyl 4-tert-Butylbenzoate?

Methyl 4-tert-Butylbenzoate, known by its molecular formula C12H16O2, appears as a crystalline solid at room temperature. The material’s IUPAC name clarifies its structure: a methyl ester attached to a benzoic acid ring substituted at the para position with a tert-butyl group. That arrangement creates a compound used widely as an intermediate in the manufacture of agrochemicals, specialty chemicals, and pharmaceuticals. The presence of both ester and alkyl functional groups offers a balance of chemical reactivity and stability, which lends itself to applications demanding precision and reliability.

Physical Properties and Specifications

Appearance matters in chemicals destined for exacting industries. Methyl 4-tert-Butylbenzoate presents as white to off-white flakes or crystalline powder, depending on storage and handling conditions. Under certain manufacturing conditions, it may even appear in pearl or solid chip forms. The product displays a melting point typically between 56°C and 60°C, giving it easy handling characteristics for manufacturers using standard equipment. Density hovers around 1.05 g/cm³. Solubility in common organic solvents, like ethanol and ether, enables flexible mixing or extraction. In water, Methyl 4-tert-Butylbenzoate shows low solubility, limiting its drift or migration in water processes and sharpening dosing control during industrial synthesis. Upon heating, it can give off volatile organics, so good local ventilation keeps workspaces safe.

Chemical Structure and Molecular Details

Each molecule consists of a benzene ring, offering the rigidity and resonance stability characteristic to aromatic compounds. Attached at the para position, the tert-butyl group increases molecular bulk and helps steer reactivity by blocking certain attack sites on the ring. The methyl ester group, fixed through a robust carboxylate linkage, offers routes for further synthetic reactions like transesterification or hydrolysis, key in both fine chemistry and bulk processes. Altogether, this structure explains why the compound resists acid and base degradation yet opens doors for transformation in controlled lab and industrial settings. Its molecular weight stands at 192.258 g/mol, a number confirmed by both chemical formula and high-resolution mass spectrometry testing.

Industrial Specifications, HS Code, and Handling

Methyl 4-tert-Butylbenzoate lands under HS Code 291639, which covers esters of benzoic acid and its derivatives. Chemical suppliers track tight tolerance windows for melting point, purity (usually above 98%), and moisture content, guided by strict quality control. These numbers matter when a plant scales up, where even slight off-spec drifts can throw off yields and create safety headaches. The product’s tank or drum packaging requires moisture-proof inner linings and rigid outer drums to prevent contamination or accidental degradation.

Material Safety and Regulatory Considerations

This raw material, while not classed among the most hazardous chemicals, carries a set of safety considerations. Direct dust exposure can irritate the respiratory tract and eyes. Skin contact may also lead to mild irritation, especially with repeated handling. According to the Globally Harmonized System (GHS), it’s not acutely toxic by ingestion or inhalation, but as with most benzoates, chronic exposure or large doses present health risks. Gloves, goggles, and masks should be standard kit for staff in shipping or production areas. Good chemical hygiene—washing after use, covering open containers, and avoiding food or drink—keeps incidents rare. Spilled solid can be swept up or vacuumed, then transferred in tightly closed containers to safe disposal.

Product Form, Storage, and Shelf Life

Storage recommendations focus on dry, cool, and well-ventilated areas. Methyl 4-tert-Butylbenzoate tolerates ordinary pressure and temperature, but direct sunlight and high humidity gradually degrade its quality. The solid keeps for years in a sealed drum under optimum conditions, which is especially important if buying in bulk for seasonal processes. As a pure solid or flake, accidental release remains easily contained, unlike volatile liquids that might spread or evaporate rapidly.

Importance for Industry and Continual Reliability

The role of Methyl 4-tert-Butylbenzoate stretches across sectors that drive practical outcomes—herbicide synthesis in agriculture, fragrance intermediates in personal care, and pharmaceutical formulations where consistency spells success. Its reliability as a raw material cuts delays in commercial production, where downtime from inconsistent batches pushes costs up and erodes confidence in end products. Quality control—both in-house and at the supplier—directly affects not only profit margins but also the reputation for safety and effectiveness down the supply chain. My experience in supply chain management has demonstrated how a dependable source of this benzoate variant underpins both R&D flexibility and predictable commercial output.

Improving Safety, Handling, and Environmental Impact

Regular equipment checks at storage and dispensing points hold down contamination risks. Training staff on correct identification and use avoids unintentional mixing with incompatible substances, which can set off unwanted reactions. Improved packaging—such as upgraded drum closures and moisture barrier liners—brings better shelf life and reduces waste from spoilage. Environmental impact comes into play mainly during disposal, as burning or landfill releases minor amounts of benign decomposition products but care ensures no accidental release into waterways or soils. Local regulations on chemical storage, labeling, and waste disposal must guide company policy. Partnering with trusted disposal vendors who can document environmental compliance closes loopholes and reinforces industry credibility.

Summary of Key Points in Application and Policy

Manufacturers value Methyl 4-tert-Butylbenzoate for its stable yet reactive structure, versatile form, and consistency in tightly regulated sectors. Relying on clear communication with suppliers and adherence to strict safety protocols, companies can take advantage of this specialty intermediate’s abilities without cutting corners on safety, compliance, or quality. That approach, supported with training, robust traceability, and continual process review, helps firms navigate the pressures of innovation, safety, and operational certainty all at once.