Among specialty chemicals, 1,3-Propanediol, 2-ethyl-2-methyl- (8CI)(9CI) takes its place for advanced materials and niche industrial uses. This compound features a propanediol backbone, carrying both an ethyl and a methyl group at the 2-position, giving a C6 backbone. The molecular formula reflects this structure: C6H14O2, with a precise molar mass of 118.18 g/mol. Chemically, the configuration involves two primary alcohol groups, placed at the 1 and 3 positions of the propanediol chain, while the central carbon holds the two alkyl branches. This architecture boosts both steric bulk and hydrophobic character, producing a substance different from common, unbranched propanediols in reactivity and handling.
The chemical appears as a colorless to pale yellow liquid under ambient conditions. High branching disrupts regular crystal packing, keeping it liquid at room temperature, unlike related diols that may form solids or waxes. Its density typically lands around 0.94–0.98 g/cm3, slightly lighter than water, as consistent with most small aliphatic diols. Viscosity exceeds that of monohydric alcohols like ethanol, yet is still handleable with basic lab equipment. Water solubility is moderate, with higher solubility in acetone, ethanol, and other organic solvents; it works well as a solubilizer or co-solvent in specialty formulations. Its boiling point, around 230–245°C (under atmospheric pressure), supports use in processes requiring high thermal stability, while the compound resists low-temperature crystallization due to its irregular structure. Hydroxyl groups offer high reactivity in typical alcohol chemistry: esterification, ether formation, and reactions with isocyanates or acids to yield polyesters, polyurethanes, or other materials. The presence of the ethyl and methyl groups decreases reactivity compared to unbranched analogs, adding stability for some applications.
While material in the pure form mostly stays liquid at standard temperatures, it may be supplied in mixed forms for technical needs. Production batches kept at low temperatures sometimes yield crystalline flakes or solidified powder, but on warming, these turn fluid. Solutions make handling easier, especially where precise measurement or dosing is essential; dissolved either in water or organic solvents, this format reduces direct exposure. Pearls or pellets, rarer, involve shaping semi-solidified resin for easier metering. Flaky or powdered samples require sealed containers and minimal agitation, as fine particles cling due to static. For liquid or crystal handling, common glass or stainless equipment suffices, but all surfaces must remain clean, as alcohols pick up contamination rapidly, affecting purity and downstream reaction reliability.
Industrial and laboratory sales usually specify content by purity (min. 98–99%), with moisture below 0.5%, color below 10 Hazen (pt-co), and absence of heavy metals, aldehydes, or peroxides. Density, refractive index, and boiling range act as further identifiers for batch consistency. Containers come in steel drums, high-density polyethylene tanks, or glass bottles for sampling, sized from 250 mL up to 200 L with appropriate UN markings and transportation certifications. Each blend’s spec sheet points to exacting methods using gas chromatography (GC), mass spectrometry (MS), or NMR for ultimate verification. HS Code aligns broadly with “aliphatic polyhydric alcohols,” often under 290539 or similar codes, reflecting its position among other glycols and polyols for both customs and regulatory purposes.
Working with 1,3-Propanediol, 2-ethyl-2-methyl- (8CI)(9CI) means understanding its chemical nature and risk profile. Compared to many lower alcohols, the toxicity sits relatively low, but all laboratory and industrial operations require eye protection, chemical gloves (nitrile or equivalent), and ventilation. Inhalation of large amounts of vapor can irritate airways, so spill areas must get immediate clean-up and fresh air. Accidental swallowing carries risk of gastric upset, so safe transfer and no eating or drinking in work areas is essential. Chronic exposure data remains limited; conservative occupational exposure limits are set based on similar glycol data. Material safety data sheets point out low acute toxicity, mild skin and eye irritancy, and predictable reactivity: in fires, vapors may fuel flames, but branched diols do not form particularly flammable atmospheres like ethers or light alcohols. Long storage works best in cool, dry spaces, shielded from sunlight and strong acids, since both heat and halogenated materials can accelerate decomposition.
The dual alcohol functionality enables broad chemical utility — this material forms building blocks for polyester resins, polyurethane foams, and surface coatings. Alkyl branching reduces chain crystallinity, adding toughness and flexibility when polymerized. The substance acts as a reactive intermediate in synthesis of plasticizers, specialty polyols, and certain lubricants. Surfactant and cosmetic formulations rely on it for viscosity control as well as solvent capacity. Supply chains pull from petroleum-derived sources, often starting from propylene oxide or other C3–C4 intermediates with tailored catalytic processes yielding the dual-branched product. Green chemistry efforts look toward renewable feedstocks, though branched diols still largely come from traditional petrochemical streams. Chemical engineers focus on purity and trace impurity removal to ensure no catalyst poisoning or finished product discoloration.
Structural formula C6H14O2 shows two alcohol groups on opposite ends of a central carbon chain carrying both methyl and ethyl substituents at the 2-position. Infrared (IR) spectra show broad -OH stretching bands, typically around 3400 cm-1, and C-H aliphatic stretches between 2950–2850 cm-1. Proton NMR confirms the presence of both terminal and branching groups — twin doublets and triplets distinguish the methyl and ethyl from the main chain. Gas chromatography produces a single, clear retention peak at defined temperature ramps; mass spectrometry offers a molecular ion at m/z 118, verifying formula and integrity.
Practical experience in the development of coatings and resins often pushes chemists to seek diols with less crystallinity and more flexibility. Trying out 1,3-Propanediol, 2-ethyl-2-methyl- (8CI)(9CI) in a formulation changes the final texture — branching steps down melting point, sharpens viscosity profile, and limits shrinkage on curing. These tweaks influence not only product performance but also process economics: less energy for melting, easier mixing, longer shelf-stability. Failures in controlling substance purity or incorrect handling have cost projects final clarity, so consistent storage and safe handling policy save both money and risk down the road. Industry still needs more toxicity testing for lifelong exposure, but early data suggest the compound stands safer than many related monomers or glycols. On a larger scale, raw material optimization not only meets safety needs but also provides a springboard for green process improvement. Lean, controlled chemistry on the front end cuts waste, streamlines scale-up, and supports both productivity and sustainability in modern manufacturing.
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