Ethanesulfonic Acid Isopropyl Ester: Structure, Properties, and Practical Insights

What Is Ethanesulfonic Acid Isopropyl Ester

Ethanesulfonic acid isopropyl ester stands out as a specialty organic compound, known by its molecular formula C5H12O3S. With a defined structure that features an ethylsulfonate group linked through an oxygen atom to an isopropyl chain, this ester shows up as either a colorless or pale yellow liquid under standard conditions, yet also occurs in powder, flakes, and occasionally as crystals, depending on storage temperature and impurity content. The formula speaks to its makeup: two carbons bonded with a sulfonic acid group and connected to the isopropyl ester moiety, giving it properties distinctive from other sulfonic acid derivatives.

Physical Properties and Appearance

This compound offers a specific density usually around 1.13 g/cm³ at room temperature, which chemists immediately notice when handling it alongside other, lighter esters. Experience in the lab shows its consistency as a liquid at ambient conditions, but some suppliers deliver it as solid flakes or crystalline powder—minor differences in purity or storage play a part in these variations. The melting point hovers close to 26°C, and the boiling point stretches toward 215°C. Solubility depends on the medium: it dissolves readily in polar solvents like water and methanol, but less so in nonpolar solutions. These simple properties shape daily handling, determining how easily the material can flow into reaction vessels or mix into solution for synthesis.

Material Specifications and Packaging

Buying or selling ethanesulfonic acid isopropyl ester typically involves paying close attention to its state—liquid, flakes, crystalline, or in pearl-like granular form. For scale-up or research purposes, purity remains a critical parameter, with common grades exceeding 98%. Many chemical catalogs list it by its CAS number 30860-00-7, along with its Harmonized System (HS) Code for international trade, often 2920909090. Storage calls for airtight containers, kept in cool, dry places without direct sunlight, since the ester shows hydrolytic sensitivity, changing structure slowly when exposed to moisture or air. Packaging varies from glass bottles in labs to blue HDPE drums for industrial volumes.

Chemical and Molecular Properties

The function of this ester in synthesis owes a lot to its active sulfonic acid group, which gives it reactivity distinct from straight-chain alkyl esters. Once in the reaction flask, the isopropyl group influences both solubility and reaction rates. Chemists know that the electron-withdrawing effect of the sulfonic acid group makes it more susceptible to nucleophilic substitution, a fact reflected by years of published research. The ester also demonstrates reasonable thermal stability, which means heating it gently in a sealed vessel rarely leads to rapid decomposition—an essential property for those using it as a raw material in production or in organic synthesis.

Hazardous, Harmful, and Safe Handling

Safety sits front and center with any chemical, and ethanesulfonic acid isopropyl ester gives a pungent odor on exposure, signaling the need for proper ventilation. Eyes, skin, and respiratory exposure warrant concern: lab colleagues always use nitrile gloves and splash goggles when handling even small samples. According to MSDS guidelines, direct contact causes skin irritation and can produce respiratory issues if handled in poorly ventilated spaces. Accidental spills result in slippery, sticky residues hard to remove, especially if it reaches porous surfaces. To address risks, I store it away from oxidizing agents and bases, and always label its container with content and hazard symbols. Laboratories keep chemical fume hoods active during weighing or diluting, not out of habit but from direct experience with its vapor. Disposal requires following chemical waste procedures strictly, never pouring unused product down the drain.

Raw Materials Uses and Chemical Applications

As a raw material, ethanesulfonic acid isopropyl ester plays a role in synthesizing specialty chemicals, pharmaceutical intermediates, and sometimes surfactants or catalytic agents. The molecular structure, combining the lively sulfonic ester with isopropyl, stands out for those interested in fine-tuning chemical reactivity or optimizing process parameters. The ester group acts as a useful leaving group, supporting transformations hard to achieve with regular alkyl sulfonates. In the pharmaceutical industry, some synthetic routes call for the inclusion of the isopropyl ester specifically, given its volatility and decomposition pattern. Other times, its presence in ready-to-use solution makes it attractive for pilot-scale trials.

Molecular Formula, Structure, and Reaction Considerations

The molecule, as C5H12O3S, presents a clear, predictable profile for calculation or theoretical understanding. Understanding the arrangement—an ethane backbone, sulfonated at terminal carbon, attached to isopropyl through oxygen—offers insights for predicting reaction outcomes or troubleshooting synthesis failures. Chemists with practical background know well this arrangement increases hydrophilicity, so separation with nonpolar solvents often leads to loss or low recovery. The structure directly impacts choices in purification methods, whether to favor crystallization, distillation, or chromatography. This hands-on approach proves essential, whether the goal is isolating pure product at the bench or scaling up for industrial production.

Safe Storage and Handling Solutions

Storage and transportation conditions spell the difference between hassle-free use and expensive product loss. Based on prior experience, storing ethanesulfonic acid isopropyl ester away from light and moisture, in closed, labeled containers, keeps the compound stable for longer periods. Use desiccators or sealable drums for bulk stock. Workers responsible for handling wear gloves, goggles, and lab coats, and keep spill kits and eye wash stations within reach. These precautions come not just from label recommendations but from resolving real-world incidents of minor leaks or splashes. For long-distance shipping, companies check packaging materials for compatibility with the ester’s corrosive nature, avoiding metallic containers that may corrode or degrade.

Density, Volume, and Use in Solution

Density figures into every calculation when measuring for reactions or blending into solutions. For those used to preparing liter-scale solutions, the density allows conversion from mass to volume—pouring the ester directly into graduated cylinders to match recipe requirements. Lab procedures might call for precise dilution, given the sulfonic acid moiety’s impact on pH and reactivity. Whether as a powder, flakes, or bulk liquid, consistency in measuring and mixing remains key to reproducibility and safety. In quality control, monitoring the physical state—checking for unexpected solidification or change in color—serves as a first sign of impurity or decomposition, guiding decisions about suitability for further use.