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2-Phenethyl Isocyanate

    • Product Name 2-Phenethyl Isocyanate
    • Alias Benzyl isocyanate
    • Einecs 210-558-1
    • 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

    947725

    CAS_Number 1943-82-4
    Molecular_Formula C9H9NO
    Molecular_Weight 147.18
    Appearance Colorless to pale yellow liquid
    Boiling_Point 118-120°C at 12 mmHg
    Density 1.047 g/mL at 25°C
    Melting_Point -15°C
    Refractive_Index 1.589
    Flash_Point 112°C
    Solubility_in_Water Decomposes
    Purity Typically ≥98%
    SMILES O=C=NCC1=CC=CC=C1

    As an accredited 2-Phenethyl Isocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing A 100g amber glass bottle, tightly sealed, with hazard labeling for 2-Phenethyl Isocyanate, chemical formula, and safety instructions.
    Shipping 2-Phenethyl Isocyanate should be shipped in tightly sealed containers, clearly labeled, and protected from moisture and incompatible substances. Transport in accordance with local, national, and international regulations for hazardous chemicals, ensuring it is handled by authorized personnel. Avoid exposure to heat or direct sunlight during shipping to maintain product integrity and safety.
    Storage 2-Phenethyl isocyanate should be stored in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible substances such as strong oxidizers, acids, and bases. Keep the container tightly closed and clearly labeled. Store in a corrosive-resistant container with a compatible inner liner, and avoid exposure to moisture, heat, and direct sunlight to prevent decomposition.
    Application of 2-Phenethyl Isocyanate

    Applications of 2-Phenethyl Isocyanate in Industrial Manufacturing

    2-Phenethyl isocyanate provides a unique aromatic isocyanate reactivity profile, supporting core synthesis and modification processes in select industrial channels. As a direct manufacturer, we deliver consistent specification and controlled impurity levels for advanced production needs. Below are the verified downstream applications across four integrated manufacturing sectors.

    1. Pharmaceutical API Intermediate Synthesis

    Pharmaceutical manufacturers employ 2-phenethyl isocyanate as a crucial building block during the construction of specialized urea and carbamate functional groups, frequently involved in targeted molecule scaffolding, prodrug formation, or as a linking fragment joining secondary amines in custom API classes. The material supports fine control of substitution patterns, especially within medicinal chemistry programs where yield, purity, and unambiguous analytical traceability are strictly monitored.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP, 21 CFR Parts 210/211, US FDA)
    • EU Commission Directive 2001/83/EC (pharmaceuticals)
    • International Council for Harmonisation (ICH Q7, Q3A/B)
    • Chinese Pharmacopoeia (ChP) & European Pharmacopoeia (Ph. Eur.) intermediates documentation

    Typical usage ratio

    • Variable between 0.9–1.2 equivalents as a coupling reagent, guided by stoichiometry of the nucleophilic partner during synthesis; micro-scale customizations needed for API impurity controls

    Downstream process integration

    • Charged after amine-containing intermediate workup in batch or continuous flow reactors; introduced under controlled temperature and inert atmosphere
    • Regioselectivity and yield monitored by HPLC and NMR in process analytics

    Final product types

    • Proprietary pharmaceutical intermediates
    • Drug molecule scaffolds for oncology, CNS, and anti-infective research
    • Patent-protected APIs containing customized urea or carbamate motifs

    2. Agrochemical Active Ingredient Synthesis

    Agrochemical technical centers leverage 2-phenethyl isocyanate for constructing ureido-linked insecticides and herbicides, especially when designing new actives for resistance management programs. Its aromatic isocyanate structure enables selective reactivity with appropriately substituted amines and alcohols, supporting the production of ingredients compliant with region-specific residue and environmental risk limits.

    Industry compliance standards

    • FAO/WHO Specifications for Agricultural Pesticides
    • EPA 40 CFR Part 180 (US agrochemical active ingredients)
    • OECD Principles of Good Laboratory Practice (GLP)
    • REACH (EC No 1907/2006) for registration and environmental impact

    Typical usage ratio

    • Targeted range 1.0–1.3 molar equivalents, based on the number of nucleophilic sites on precursor amines/alcohols; adjustment governed by required crop-specific residue profile and product cost targets

    Downstream process integration

    • Isocyanate addition carried out post-hydrolysis and pre-crystallization under automated agitation; closely monitored to prevent excess unreacted isocyanate
    • Integrates with solvent exchange and filtration units for active ingredient isolation

    Final product types

    • Custom ureido-based herbicides and insecticides
    • Aromatic carbamate pesticide actives
    • Formulated wettable powders and microgranules for agricultural distribution

    3. Specialty Polymer and Prepolymer Manufacture

    Resin and specialty polymer producers use this raw material as a monofunctional isocyanate modifier to fine-tune chain-end functionality, crosslink density, and flexibility properties in aromatic polyurethanes or custom isocyanate-based networks. The introduction step takes place in controlled polymerization batches or continuous extrusion operations to deliver well-defined molecular weights and low free monomer content, ensuring that downstream application requirements such as mechanical resilience and chemical resistance are met for industrial clients.

    Industry compliance standards

    • ISO 9001:2015 (Quality management systems in polymer production)
    • ISO 14001:2015 (Environmental management in chemical processing)
    • ASTM D2578-17 (Wettability of Polymeric Films for Composites)
    • Relevant REACH restrictions concerning aromatic isocyanate exposure notifications

    Typical usage ratio

    • Generally 0.2–2.0 weight percent as a chain stopper or functional group modifier, subject to targeted urethane prepolymer NCO index and end-use mechanical property benchmarks

    Downstream process integration

    • Added as a terminal or mid-chain capping agent after initial prepolymer build-up; incorporated via controlled dosing pumps into batch, semi-batch, or reactive extrusion equipment
    • Continuous monitoring of NCO content and molecular weight distribution

    Final product types

    • Specialty polyurethane elastomers for vibration damping
    • Custom cast urethane parts with enhanced flexibility
    • Functional films and foams for industrial seals and gaskets

    4. Fragrance and Aroma Compound Synthesis

    Fragrance manufacturers utilize 2-phenethyl isocyanate as a tightly controlled precursor for introducing aromatic urea and carbamate linkages in high-value aroma intermediates. The compound’s unique reactivity ensures the preservation of delicate aromatic profiles during scale-up, important for the integrity of finished scents used in both fine fragrance mixtures and technical perfumery, including flavors for regulated consumer applications. Rigorous documentation supports downstream traceability and customer safety requirements.

    Industry compliance standards

    • International Fragrance Association (IFRA) Code of Practice
    • EU Regulation (EC) No 1334/2008 (Flavourings and Certain Food Ingredients)
    • ISO 9235:2013 (Aromatic raw materials—Terminology)
    • Good Manufacturing Practice for Fragrance Ingredients (IFRA, IOFI guidelines)

    Typical usage ratio

    • Applied in molar ratios between 0.8 and 1.1 relative to aromatic amine or alcohol partners, with tight controls to eliminate excess unreacted isocyanate residues in food and personal care grades

    Downstream process integration

    • Introduced as a fresh reagent directly into the aroma compound coupling stage under mild thermal and anhydrous conditions; vacuum stripping and fractional distillation follow to control purity and residual solvent levels
    • QA verification of aromatic profile and compliance via GC-MS and sensory analysis

    Final product types

    • Fragrance ingredient intermediates containing phenethyl moieties
    • Aromatic urea and carbamate derivatives used in flavor formulations
    • Core fixative and 'heart note' components in premium fragrances
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    Certification & Compliance
    More Introduction

    2-Phenethyl Isocyanate: An Honest Introduction from Its Manufacturer

    Offering Reliability, Precision, and Clean Chemistry

    Stepping into our production hall of isocyanate derivatives, the aroma tells you immediately—something valuable is happening here. Over years of experience, we have seen 2-Phenethyl Isocyanate (PEI) move from a rare request in the 1990s to a regular fixture on the order books. This is not a commodity, and clients seldom seek it without a good reason. Our batch reactors, maintained above industry benchmarks, let us deliver PEI that retains consistent clarity and reactivity, batch after batch.

    The Path to Consistent Quality

    Demand for specialty isocyanates rises and falls with changing trends in fine chemistry, pharmaceuticals, and crop protection. Thorough purification and tight control over residual phenethyl amines set our PEI apart from options exported in bulk. We never rush the refinement phase, prioritizing content purity each time, since unconverted amine or residual solvents create headaches down the line in both bench-scale synthesis and commercial processes.

    Our most common offering for PEI carries an assay of at least 98% by HPLC, with water content below 0.2%, and the product reaches you as a clear, slightly yellowish liquid. We test for the main isocyanate functional group, verify minimal contaminants like ureas and carbamates, and archive results for traceability. Customers in both research and manufacturing appreciate the stability of our PEI—sealed under nitrogen in amber bottles to prolong its shelf life and suppress darkening.

    How PEI Shaped Its Own Niche

    Not every isocyanate gets calls from both pharmaceutical chemists and fragrance houses. 2-Phenethyl Isocyanate claims this narrow intersection because of the structure it offers: the aromatic ring, an ethylene linker, and a reactive NCO group that anchors efficiently to plenty of nucleophiles. Chemists searching for mild and selective urea or carbamate synthesis favor PEI for the gentle reactivity of the phenethyl group. Unlike simpler isocyanates like phenyl isocyanate, PEI provides more nuanced control over rates and side reactions—and the additional linker reduces steric hindrance, favoring purer end products.

    In active pharmaceutical ingredient (API) manufacture, acylation efficiency and minimal formation of complex byproducts determine time yields, especially in multistep routes. Several mid-scale pharmaceutical companies prefer PEI over straight-chain or bulkier isocyanates when aiming for target molecules with precise side-chain functionalities. The structure of PEI helps in reducing off-target modifications and often increases the rate of desired coupling reactions relative to alternatives.

    Performance in Fine Chemistry and Synthesis

    Our technicians hear from both academic and industry clients: shelf stability, purity, and predictable end-reactivity usually decide who gets repeat orders. In our experience, chemists rely on PEI for urea formation (particularly N,N'-disubstituted ureas), carbamate esters, and isocyanate-derived intermediates where a flexible yet robust aromatic side chain matters.

    Take solid-phase peptide synthesis or the development of advanced intermediates for crop protection ingredients. Someone working on modified amino acid conjugation trusts the phenethyl group in PEI to both stabilize and accurately deliver the isocyanate reaction without excessive side product formation or loss to atmospheric breakdown. In segments like flavor and fragrance chemistry, subtlety in reactivity pays dividends. PEI’s backbone imparts pleasant, mild character—an advantage over more volatile or malodorous isocyanates.

    Purity That Makes a Difference

    Isocyanate chemistry punishes impurities. Any introduction of water, primary amine, or reactive solvent at the wrong moment triggers unwanted polymerization or blocks the very moiety chemists want to preserve. We adapted our production line years ago with in-line moisture capture and end-to-end nitrogen protection for this reason. There is little margin for error, especially for contracts involving regulated pharmaceutical synthesis.

    Batch documentation and cross-referenced chromatograms ensure you don’t have to second-guess the reactivity or profile of what arrives. Our teams routinely run parallel purity checks using HPLC and GC-MS data. That confidence ends up saving both time and money across multi-step syntheses. When a customer’s yield fails out of the blue, we review batch archives and offer technical support—even sharing findings from our own troubleshooting to keep projects running.

    Comparing PEI with Other Isocyanates

    We regularly field questions about why clients should pick PEI over alternative isocyanates such as phenyl isocyanate, methyl isocyanate, or hexamethylene diisocyanate. It often comes down to a few core reasons:

    Usage—Practical Wisdom from the Production Floor

    Despite its favorable profile, PEI remains highly reactive and moisture-sensitive. Standard practice in our own plant, as well as among loyal customers, discourages open handling or prolonged air exposure. We recommend clean, dry glassware, rigorous exclusion of atmospheric moisture, and (for larger quantities) transfer under inert gas. Most users scale from bench research—manipulating milligrams under a hood—up to pilot production where stainless steel reactors with nitrogen blanketing keep batch purity at acceptable levels.

    Direct applications look different across sectors. API manufacturers join PEI to amines or alcohols, quickly forming urea or carbamate groups central to their patented molecules. Fragrance developers experiment with PEI in novel aroma syntheses, designing esters and ureas that impart sweetness, warmth, or functional performance to blends. Researchers at academic labs use it to modify natural products, probe enzyme function, or create new polymers with tailored flexibility owing to the unique structure of PEI.

    Our technical service group spends time guiding customers new to PEI: titration of excess, staged addition to minimize exotherms, and, wherever possible, chilled conditions for stoichiometric control. Some industrial clients run small in-house stability trials before scaling new projects, benefiting from our experience troubleshooting storage and transfer headaches—like clogged lines and gelling in the presence of unintended bases.

    Addressing Real-World Challenges

    PEI, like most isocyanates, can cause dermal and respiratory sensitization. We take safety seriously, not just because regulations require it, but because our engineers and technicians face real risk handling drums daily. Solvent compatibility checks, leak-proof storage protocols, and staff training reduce fence-line emissions and accidental exposure events. Each shipment leaves our facility packaged to prevent leaks, with clear lot traceability.

    Several major customers run biological screens on both raw PEI and its derivatives. Toxicology studies guide the design of new APIs and agricultural agents, often influencing which batches earn a place in the next phase of research or commercial expansion. We work with clients who routinely share their toxicity results back with us, refining our in-process controls to eliminate contaminants most likely to complicate regulatory review.

    Environmental Responsibility and Innovation

    Decades ago, high-yield isocyanate chemistry led to plenty of solvent-laden waste. We shifted our process technology since then, leveraging solvent recycling units, water-tight batch containment, and filtered vent systems. These upgrades didn’t just earn us compliance certificates—they keep the surrounding community healthier and reduce raw material consumption for a product that typically ships in small to mid-size batches.

    Our engineers regularly collaborate with downstream users to develop tailored purities, stabilized blends, or alternative solvents that can lower emission risks and facilitate regulatory acceptance. Living near our own factory, we never compromise on effluent monitoring or open reporting of emissions. Each year brings another review of best practices, informed by both customer feedback and new industrial regulations.

    PEI in the Future of Synthesis—What’s Taking Shape

    Research into greener chemistry, biocompatible drugs, and smarter agrochemicals keeps increasing the range of PEI applications. We’ve seen the product featured in published patents on advanced polymer synthesis, next-generation crop protection agents, and clinical-stage pharmaceutical compounds. Researchers talk openly with us about what would improve their work—finer purity grading, improved long-term storage, or smaller-lot deliveries with better environmental packaging.

    Technicians in our plant take pride when they spot product citations in newly published papers or patent filings. These wins didn’t come from undercutting on price for lower grade versions or taking short-cuts in purification. They’re the outcome of relentless focus on batch reliability and forthright communication with our customers.

    We commit to continual improvement, whether that means investing in safer handling gear, collaborating on new technical dossiers, or driving down waste generation. As new questions arise—can PEI be made from biobased phenethyl? How does it perform in microwave-assisted syntheses?—we join those conversations with a perspective shaped by hands-on manufacturing experience that stretches back years.

    Final Thoughts from the Factory Floor

    2-Phenethyl Isocyanate’s value comes not only from its reactivity but also from the relationships built around it—between manufacturers, chemists, regulatory teams, and end-users. Every bottle, drum, or stabilized blend leaving our site carries more than a reagent. It carries a set of practices, lessons, and shared goals. Feedback cycles from customers drive our efforts to pinpoint sources of impurity, shorten order turnaround, and improve safety.

    Those customers rarely ask for generic advice. They look for a product that matches their specifications, performs reliably across batches, and comes with insight drawn from years in real-world chemical manufacturing, not just a catalog or specification sheet. That’s what we offer and what has made PEI a mainstay for partners pushing boundaries in synthesis, innovation, and practical chemistry. If you’re examining new applications for PEI, or searching for answers to technical challenges, our experience—along with the hard-won improvements of the past years—remains open to you.