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3,5-Dimethyl-1-Hexyn-3-Ol

    • Product Name 3,5-Dimethyl-1-Hexyn-3-Ol
    • Alias DMH
    • Einecs 211-646-8
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    199880

    Cas Number 6090-18-8
    Molecular Formula C8H14O
    Molecular Weight 126.20 g/mol
    Iupac Name 3,5-dimethylhex-1-yn-3-ol
    Appearance Colorless to pale yellow liquid
    Boiling Point 161-163 °C
    Density 0.862 g/mL at 25 °C
    Melting Point -38 °C
    Flash Point 54 °C
    Refractive Index 1.436-1.438 at 20 °C
    Solubility In Water Insoluble
    Smiles CC(C)(O)C#CC(C)C
    Pubchem Cid 17172

    As an accredited 3,5-Dimethyl-1-Hexyn-3-Ol factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle containing 25 grams of 3,5-Dimethyl-1-Hexyn-3-Ol, tightly sealed with a screw cap and labeled.
    Shipping **Shipping Description for 3,5-Dimethyl-1-Hexyn-3-ol:** Ship in a tightly sealed container, protected from light and moisture. Store at room temperature, away from sources of ignition. Handle in accordance with local, national, and international regulations for chemicals. Label package with proper chemical identification and hazard warnings. Consult the Safety Data Sheet (SDS) before transport.
    Storage 3,5-Dimethyl-1-hexyn-3-ol should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from direct sunlight, heat sources, and incompatible materials such as strong oxidizing agents. Keep the storage area free from ignition sources, and ensure suitable chemical spill containment. Proper chemical labeling and adherence to all relevant safety regulations are essential.
    Application of 3,5-Dimethyl-1-Hexyn-3-Ol

    Applications of 3,5-Dimethyl-1-Hexyn-3-Ol in Industrial Manufacturing

    3,5-Dimethyl-1-Hexyn-3-Ol serves as a critical specialty intermediate in multiple industrial manufacturing sectors. As an original producer, we ensure consistent supply for well-established downstream transformations, supporting customers in fields where regulatory compliance, formulation accuracy, and integration efficiency are essential for finished product performance and safety.

    1. Synthesis of Vitamin D Analogues in Pharmaceutical Manufacturing

    Our 3,5-Dimethyl-1-Hexyn-3-Ol plays a key synthetic role as a building block for Vitamin D analogues. In pharmaceutical API production, its triple-bonded structure is necessary for generating the desired secosteroid core, allowing downstream technologists to engineer precise chemical modifications for different vitamin analogues. Used in the initial alkynylation and subsequent cyclization steps, the material’s purity and reactivity are critical for both yield and regulatory adherence.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • United States Pharmacopeia (USP) monographs relevant to Vitamin D types
    • European Pharmacopoeia (Ph. Eur.) specifications for intermediates and APIs
    • FDA cGMP 21 CFR Part 210/211

    Typical usage ratio

    • 1.0–1.2 molar equivalents relative to starting ketone; precise addition monitored by HPLC to avoid residuals, with adjustment based on final API purity targets and yield optimization studies

    Downstream process integration

    • Direct introduction during the propargylation step, forming the key C-C bond linking the hexynol unit; followed by acid- or base-catalyzed isomerizations and photochemical reactions forming the secosteroid core; full traceability maintained in batch records

    Final product types

    • Calcitriol (1,25-dihydroxyvitamin D3) API
    • Alfacalcidol intermediates
    • Cholecalciferol derivatives for active pharmaceutical ingredients

    2. UV Absorber Intermediate for Polymer Additive Synthesis

    In specialty polymer additive manufacturing, 3,5-Dimethyl-1-Hexyn-3-Ol serves as a precursor for the synthesis of UV stabilizers, particularly in the benzotriazole and triazine classes. Process engineers steer the compound into controlled alkylation and cyclization reactions to introduce both alkyne and tertiary alcohol functionalities central to robust photostabilizer molecules, targeting markets that require precise protection from polymer photodegradation in outdoor environments.

    Industry compliance standards

    • REACH (EC) No 1907/2006 Registration and Authorization for new additives in Europe
    • ISO 9001:2015 Quality Management System for polymer additive production
    • Compliance with FDA 21 CFR 177.1520 (for additives used in food contact plastics where applicable)
    • ASTM D3424 Weathering Test Protocols for polymer UV stability

    Typical usage ratio

    • 0.2–0.8 molar equivalents as precursor per mole of core triazine substrate, depending on desired UV cutoff properties and target absorption maxima; formulation adjusted to UV absorption test outcomes

    Downstream process integration

    • Reacted during the step-growth condensation to give intermediate alkynyl-benzotriazoles or triazines; material purity carefully monitored to prevent unwanted byproducts downstream; integrated before final ring closure and alkyl side chain installation

    Final product types

    • Benzotriazole-based UV absorbers for engineering plastics
    • Triazine-class light stabilizers for outdoor polyolefins
    • UV filters for weatherproof polycarbonate and acrylic sheets

    3. Agrochemical Intermediate for Selective Herbicide Synthesis

    3,5-Dimethyl-1-Hexyn-3-Ol functions as a tailored intermediate in the synthesis of propargyl-based herbicides. It is inserted into the molecular backbone to induce a specific triple-bond configuration, imparting herbicidal selectivity and metabolism properties. Agrochemical formulators employ advanced coupling and rearrangement steps, ensuring the molecule delivers required activity and field persistence while meeting strict chemical registration standards worldwide.

    Industry compliance standards

    • FAO/WHO Manual on Development and Use of FAO and WHO Specifications for Chemical Pesticides
    • OECD Guidelines for the Testing of Chemicals (Residues in food and environmental fate)
    • US EPA 40 CFR Part 158 (Pesticide Registration Data Requirements)
    • ISO 17025:2017 Accredited Laboratory Analytical Controls

    Typical usage ratio

    • 1.1–1.5 molar equivalents per coupling substrate, tuned based on desired chain length and herbicidal activity profile; dosage supported by pilot bioassay and field trial data

    Downstream process integration

    • Loaded during key Sonogashira or related coupling reactions towards the final propargyl moiety; managed in closed-system reactors with real-time monitoring to optimize conversion and minimize residuals in the finished technical concentrate

    Final product types

    • Propargyl-based selective herbicides for cereal crops
    • Biochemically targeted post-emergence weed control actives
    • Herbicide mixtures used in formulated agrochemical concentrates

    4. Synthesis of Specialty Fragrance Intermediates

    Perfumery chemical manufacturers employ 3,5-Dimethyl-1-Hexyn-3-Ol as a controlled alkynylating and tertiary alcohol agent in the preparation of complex musks and woody base notes. The distinct branched alkynol backbone is leveraged to introduce olfactory subtleties and stability through sequential Grignard and hydration transformations, allowing downstream chemists to fine-tune molecular frameworks for end-use perfume oil compositions.

    Industry compliance standards

    • International Fragrance Association (IFRA) Standards and Guidelines
    • Cosmetics Regulation (EC) No 1223/2009 (for fragrance ingredients in cosmetic applications)
    • ISO 9235:2013 Aromatic Natural Raw Materials—Terminology
    • Good Manufacturing Practice for Cosmetic Ingredients (Cosmetic GMP ISO 22716)

    Typical usage ratio

    • 0.5–1.0 molar equivalents per target synthetic musk batch, with rate controlled to balance branching versus linear character in final odor profile; composition tailored after chromatography and GC-MS analysis of fragrance intermediate purity

    Downstream process integration

    • Enters multi-stage Grignard alkylation processes, followed by hydration or isomerization steps; intermediate purification ensures no alkyne residues exceed IFRA safety thresholds; downstream distillation refines product for blending into fine fragrance bases

    Final product types

    • Synthetic musks for premium perfume and cologne bases
    • Alkyl-branched woody aroma intermediates
    • Specialty fragrance compounds for personal care and home products

    5. Electronic Industry Intermediate for Organic Light-Emitting Diode (OLED) Materials

    In the advanced electronics sector, 3,5-Dimethyl-1-Hexyn-3-Ol acts as a niche intermediate for the construction of heteroaromatic OLED emitter ligands. R&D and manufacturing engineers integrate the compound’s unsaturated structure at precise cyclization or cross-coupling points, creating π-conjugated backbones with enhanced electron mobility—an essential feature for achieving high luminance efficiency and color purity in modern OLED devices.

    Industry compliance standards

    • RoHS Directive 2011/65/EU (Restriction of Hazardous Substances)
    • IEC 61249-2-21 (for halogen-free electronics materials)
    • JEDEC JESD22 Quality and Reliability Test Standards
    • ISO 9001:2015 Quality Assurance in electronics component manufacturing

    Typical usage ratio

    • 0.7–1.3 molar equivalents, depending on ligand synthetic route and cross-coupling efficiency; batch size and purity standards set according to specified charge carrier mobility in functional OLED tests

    Downstream process integration

    • Supplied at metal-catalyzed coupling steps to build the polyaryl backbone; subsequent ring closure and purification steps rely on residual analysis to prevent performance loss in OLED layers; fully tracked under electronics traceability protocols

    Final product types

    • Organic phosphorescent emitter compounds for OLED panels
    • Intermediate ligands for blue or green OLED functional layers
    • Active small molecule materials in display manufacturing
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    Certification & Compliance
    More Introduction

    3,5-Dimethyl-1-Hexyn-3-Ol: A Practical Introduction from the Manufacturer’s Bench

    From the lens of a chemical manufacturer, 3,5-Dimethyl-1-hexyn-3-ol represents more than a line item in the catalog. The journey from basic hydrocarbons to this unique alkyne-alcohol takes thoughtful control over every reaction, temperature adjustment, and purification step. We keep our eyes on its quality markers at every batch. Every bottle filled comes from years we have spent studying both the chemistry and the subtle hands-on differences that change how this building block performs in downstream uses.

    Model and Specifications

    Our standard production model for 3,5-Dimethyl-1-hexyn-3-ol takes form as a clear, colorless to pale yellow liquid, reflecting its purity and the absence of typical byproducts like residual bases or oligomeric side products. The most reliable material emerges with a purity level consistently above 98% by GC, moisture content less than 0.05%, and minimum presence of residual hydrocarbons. Boiling point and solubility get checked every time, not to fill in a line on paperwork but to know exactly what our end users handle.

    On scale-up, we noticed subtle changes in exothermic behavior during the terminal alkyne addition. We took that lesson into each pilot batch, controlling temperature ramps and inert atmosphere conditions; such focus lets us deliver not just a legal minimum but something others notice in real-world synthesis—especially when their own procedures rely on low water content and predictable reactivity.

    Applications and End-Use Value

    Chemists seek out 3,5-Dimethyl-1-hexyn-3-ol as a niche intermediate in pharmaceutical and fine chemical production. It stands apart from other hexynols due to the two methyl groups at the 3 and 5 positions—these additions support key steric and electronic effects for reactive sites. From our production experience, this means researchers use it not only for terminal alkyne couplings but also for syntheses that demand both the -OH and the triple bond remain intact through multiple transformation steps.

    End-use typically revolves around its role as a coupling partner, especially in Sonogashira or other palladium-catalyzed cross-couplings. The structure blocks unwanted side reactions at the triple bond, so follow-up reactions can proceed using the -OH group or further alkyne chemistry. We’ve seen requests from both well-resourced fine chemical syntheses and smaller scale labs working up route scouting, underscoring the practical window that this molecule opens—as a fixed point for further differentiation.

    In years of supporting medicinal chemists, feedback comes strongest about its role in generating complex, branched carbon scaffolds. Once that C3,O functionality is locked in, the downstream choices broaden. Process chemists lean on its consistent reactivity profile: polymer makers manipulate its hydroxyl for material modifications or UV-curable resins, while peptide analogs appear when the molecule acts as a rigid linker.

    Production Approach and Experience

    Through every cycle and purification run in our facility, the attention to reaction exotherms, distillation cut points, and atmospheric controls forms the backbone of delivering a reproducible product. Early on, we discovered the role of minor trace contaminants that trigger side reactions in sensitive applications. Extensive micro-analytical monitoring led us to adopt multi-stage drying and gas-tight transfers. These steps are not always mentioned in a standard spec sheet, but in practice, they lower batch failures during pharma research projects.

    We've put our material through a battery of internal and third-party tests to measure the knock-on effects: trace water triggers decomposition for some users; minor amine residues raise questions during scale-up. Establishing a strictly inert and moisture-controlled process isn't just for compliance. It delivers a 3,5-Dimethyl-1-hexyn-3-ol that end-users trust, not only on paper but in the living, sometimes temperamental, world of chemical synthesis.

    Differences from Other Alkyne Alcohols

    Every alkyne alcohol brings its quirks. Among positional isomers of dimethyl hexynols, the 3,5-substitution pattern offers a blend of branching and electronic shielding, diffusing the reactivity along the carbon chain. In our direct comparison tests with 3,3-dimethyl or 2,4-dimethyl hexynols, the 3,5 isomer resists dehydration and unwanted rearrangements. This property pays dividends in multi-step syntheses or where >1.5 equivalents are required over several stages.

    Colleagues in material science report fewer issues with oligo/polymer compatibility compared to symmetrical dimethyls, noting better isolation of the active centers—a property traced back to the steric bulk of the double methyl group offset from the triple bond. For fine chemicals, the unique substitution pattern affects solubility in ethers, THF, and some glymes. That means simplified workups and a better handle on phase partitioning, which chemists value when chasing elusive purification targets.

    Safety, Handling, and User Insights

    Direct users tell us about sensitivity issues that arise in conjugated systems. Our experience on the shop floor matches that: small traces of acid can trigger slow polymerization or produce odd byproducts. That led us to use only neutral glassware, and we recommend basic pH on arrival checks even if the certificate claims it. We developed a handling protocol that always involves nitrogen padding and exclusion of open air after purification. These practices are born out of incidents, not theory.

    Transport and storage remain a concern because the triple bond and tertiary alcohol both offer sites for slow degradation. Sealed containers under inert gas minimize shelf losses. Even so, we stress that customers limit ambient storage—prolonged exposure drives up color changes and hints at impurity formation. When clients open large containers, dividing the product into smaller vials lengthens usable shelf life, a tip learned from repeated feedback and lab monitoring.

    Supporting Complex Synthesis Workflows

    From the manufacturing side, most requests for 3,5-Dimethyl-1-hexyn-3-ol come bundled with technical inquiries. Researchers working on iterative synthetic steps ask for in-depth, batch-specific data: NMR traces, impurity maps, or low-level anion/cation checks. Years of producing for these users taught us to provide a living snapshot of each lot. The needs go beyond a rigid spec—they’re rooted in chemists wasting months on a synthesis, only to discover an issue traced back to an unflagged contaminant in their building block.

    As a manufacturer, we adapt our purification and testing threshold to match the typical demands: separation from geometrical or positional isomers, full dehydration, and analytical support. Our internal routine includes both mass spectrometry and wet chemistry, something we learned early after seeing reaction failures outside the test tube. Segmenting product lots for process and research use, we can deliver tight purity for high-end synthesis, while batch-to-batch consistency gives scale-up users confidence in replicating results.

    The Underlying Chemistry: Why the Structure Matters

    A good part of the molecule’s performance comes from its very structure. Two methyl groups at the 3 and 5 positions twist the carbon backbone. For synthetic chemists, this means branching reduces the chances of uncontrolled side reactions like over-alkylation or unplanned cyclization. The triple bond remains available for classic functionalizations without significant electronic withdrawal from neighboring groups. The -OH at C3 places a bulky group on the chain, lending much-needed differentiation in multi-component coupling or rearrangement sequences.

    Across various scale-up campaigns, clients deploying 3,5-Dimethyl-1-hexyn-3-ol into longer-synthesized targets have fed back about its general reliability even under aggressive catalytic conditions. We’ve followed up with repeat analyses, calibrating our material until these outcomes line up, batch after batch. For those pushing the limits of new material science or drug leads, a small difference in structure makes all the difference in product isolation and ultimate yields.

    Hands-On Process Refinements

    Process improvements accumulate over years, not overnight. Early mornings in the plant often find our team tweaking reactor conditions, sometimes swapping solvents, or adjusting agitation speeds. We discovered de-aeration protocols that drop residual dissolved gases, which in turn reduced peroxides and improved long-term color stability.

    Feedback cycles with customers taught us what matters most: keep byproduct levels ultra low and match impurity profiles across shipments. We installed real-time monitoring for micro-residues—amines in particular—since even sub-ppm levels caused nightmares for downstream catalysis. Customer runs that showed color drift or slow reactivity loss echoed our own early pilot batches. Changes, even as small as switching drying agents or swapping transfer columns, gradually added up to a more predictable, robust product.

    Scaling and Sustainable Practices

    Scaling from grams in the lab to tens of kilos or more for production partners throws all kinds of curveballs. We looked for greener approaches that didn't sacrifice performance. Preventing excessive solvent use during extraction stages, we shifted to closed-cycle recoveries. This not only cut emissions but also allowed us to keep impurities to a minimum in the final product, as secondary evaporation steps can introduce minor breakdown products.

    Waste minimization is not just a buzzword from our perspective. As the starting materials and reagents shifted toward higher purity and more sustainable routes, we had to update eligibility criteria for suppliers. Real-time solvent recycling and purification let us sustain multiple campaigns each year without running into supply bottlenecks. These shifts benefited our direct clients, who increasingly get asked about the environmental impact of their supply chains. Fewer steps and less waste keep costs and complexity down without cutting corners on assay or performance.

    Quality Assurance and Responsibility

    Delivering the same quality product, month after month, depends on a culture of care inside the plant. Training, checklists, and routine instrument calibration form the base, but the most meaningful improvements come from people on the floor spotting small changes: unusual odors, changes in color between batches, or odd lab notebook findings. As manufacturers, we require everyone involved in 3,5-Dimethyl-1-hexyn-3-ol production to document not just the required data, but the context around each run. This habit helped us flag and avoid rare side reactions, leading to a more stable and predictable product for specialist synthesis workflows.

    Our approach means every technical or customer inquiry circles back to a person who handled or analyzed the batch. Open lines of feedback with our users has guided dozens of micro-improvements over the years—helping synthesis teams avoid false starts, ghost peaks, or the hassle of chasing purity problems in their own labs.

    Future Directions and Ongoing Learning

    Manufacturing 3,5-Dimethyl-1-hexyn-3-ol doesn’t stand still. As users stretch its structure into new applications—from novel drug targets to advanced material resins—our technical conversations expand. Researchers want real-life performance data, not just compliance tests. They ask after new catalysts, explore one-pot protocols, and challenge the boundaries of what this molecule can handle.

    We keep adapting our production and support, responding to project feedback and learning from each high-stakes scale-up that lands on our order books. As more chemists share their tricks and troubles with us, we keep refining not only how we make the molecule, but also how we support its end users. From thorough tracking of raw material origins to real-world, use-based data, we encourage two-way learning—knowledge that feeds forward into more reliable research and more successful syntheses for everyone working with 3,5-Dimethyl-1-hexyn-3-ol.