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Peeling Back the Layers of 1,4-Cyclohexadiene: Why This Chemical Still Matters

Historical Development: The Roots of Discovery

Chemistry has this way of cycling discoveries through generations, each time shining a new light on old compounds. 1,4-Cyclohexadiene came into focus in the golden age of organic chemistry, back in the late 19th and early 20th centuries. Researchers poked at the aromaticity of benzene and its relatives, hunting for transitional structures that could explain the strange stability. 1,4-Cyclohexadiene isn’t as famous as benzene, but it earns a spot as one of the key intermediates researchers isolated along the way. German chemist August Kekulé, who postulated the structure of benzene, helped set the stage for the study of bicyclic and polycyclic hydrocarbons like cyclohexadiene. In a modern lab, you’ll see references to pioneering isolation methods and early hydrogenation experiments; these form the backbone of the compound’s story and signaled to chemists the importance of understanding non-aromatic rings between fully saturated and fully aromatic molecules.

Product Overview: Beyond a Simple Hydrocarbon

Too often, we treat molecules like 1,4-cyclohexadiene as stepping stones—just intermediates in some reaction. Yet their properties offer a whole field of opportunity. This compound functions as a six-membered ring with two double bonds at the 1- and 4-positions, making it structurally and chemically unique. Even at first glance, its reactivity stands apart from more stable aromatic rings or fully saturated hexanes. Its structural flexibility lets chemists use it to shuttle hydrogen, build up more complex molecules, or modulate different synthetic processes. In industrial processes, small details in this structure prompt entirely new reaction designs or purification strategies. Its uses stretch from the mundane (hydrogen donors in reductions) to the specialized (precursor for functionalized cyclohexanes, ligands in catalysis), making it more than just a checkbox in the synthetic sequence.

Physical & Chemical Properties

Open a bottle of 1,4-cyclohexadiene and you’ll notice a faintly sweet, somewhat pungent aroma, familiar to anyone who’s spent significant time in organic labs. As a colorless liquid, it looks innocent, but its flammability warns of an underlying volatility shared by many unsaturated hydrocarbons. The molecular formula, C6H8, belies a density that hovers just below that of water and a boiling point around 80°C. Two conjugated double bonds stacked in the ring mean this compound is looking to react, unlike the slumbering, stabilized electrons of benzene. As a hydrogen donor, it participates in transfer hydrogenation—a property that synthetic chemists value. The ring strain and double bond placement confer reactivity but keep things from spiraling into unpredictability; with the right touch, you can coax cyclohexadiene into a host of reactions without too many side-products, a balancing act every chemist comes to appreciate.

Technical Specifications & Labeling

Dig into technical documentation, and you’ll find purity often listed above 95 percent, but trace peroxides or inhibitors are sometimes added to limit dangerous polymerization or oxidation on storage. Safety sheets remind users of the low flash point and highlight the necessity to keep the compound away from ignition sources. Laboratories using it at scale tend to lean on glass or stainless steel to avoid extended contact with plastics, which sometimes pick up the compound due to its solvent power. Vendors adopt UN numbers and hazard labeling that stress acute toxicity, environmental concerns, and reactivity features—details that show how experience in industry circles makes its way into regulatory requirements over time. None of these labels exist in a vacuum; each piece of guidance grew out of hard lessons in real-world environments.

Preparation Method

People sometimes forget the finesse needed to make 1,4-cyclohexadiene on a preparative scale. Catalytic reduction of benzene—often by partial hydrogenation using palladium-based catalysts—remains the workhorse method. Skilled operators monitor temperature and hydrogen pressure with care; too little hydrogen and you stall out with incomplete conversion, too much and you over reduce to cyclohexane. Some groups turn to alternative routes, including the dehalogenation of dihalo-cyclohexane precursors, though these approaches often introduce new purification headaches. The evolution of these synthetic techniques says something about the wider story of organic chemistry: targeted hydrogenation strategies, precise catalyst development, and greener alternatives have all been shaped by feedback from making and handling this one compound.

Chemical Reactions & Modifications

As soon as you hold some 1,4-cyclohexadiene, thoughts turn to what you can build from it. The diene system places it at the center of Diels-Alder chemistry, letting it react with a range of dienophiles to make cyclohexenes and related skeletons. You can also hydrogenate it further to get cyclohexane or functionalize it through selective oxidations or electrophilic additions. This reactivity grants access to substituted cyclohexanes, a backbone in many fragrances, flavors, and advanced materials. In transition metal chemistry, cyclohexadiene serves as a ligand, stabilizing reactive metal centers in ways aromatic rings cannot. These roles in synthetic transformations, materials construction, and catalysis draw from innate reactivity and the ability to tap into selective, high-yielding modifications. Real-world labs keep coming back to cyclohexadiene for both quick fixes and challenging reaction sequences.

Synonyms & Product Names

This molecule doesn’t hide behind many names—a simple world has led to simple synonyms: 1,4-CHD, p-cyclohexadiene, or para-cyclohexadiene. On product lists or academic publications, you’ll spot these shorthand forms alongside the systematic name, rarely running into confusion except with its close relative, 1,3-cyclohexadiene. Regulatory and purchasing systems insist on IUPAC-compliant naming and CAS numbers so researchers and manufacturers stay on the same page, reducing the risk of mixing it up with isomers that behave very differently in practice.

Safety & Operational Standards

Every lab safety training session finds time for flammable liquids, and 1,4-cyclohexadiene stands out for its combination of volatility and utility. Real trouble shows up when liquid leaks go unnoticed or when vapors accumulate near hot plates or open flames. The responsible approach leans on closed systems, proper ventilation, and grounding of vessels—details that can get ignored under deadline pressure but never forgive a lapse. Direct contact can trigger skin and eye irritation, and the vapors can prove dangerous if inhaled. Teams relying on this compound in production settings educate operators about risks, enforce strict access to storage, and use regular spill drills. For the home chemist, working outside professional protocols brings real dangers, not just for the chemist but for housemates and neighbors. The thread running through all these stories: respect the chemical, respect the scale, respect the risk.

Application Area

Synthetic chemists turn to 1,4-cyclohexadiene when they’re hungry for building blocks that can pivot into high-value products. The compound’s usefulness shows up most clearly in transfer hydrogenation reactions, both in academic research and on manufacturing lines making fine chemicals. On the pharmaceutical frontier, its unique reactivity supports the creation of chiral intermediates, crucial to synthesizing more complex molecules. In the field of materials science, 1,4-cyclohexadiene offers a springboard for the synthesis of polymers with tunable electronic and mechanical properties. I remember reading case studies where scale-up teams redesigned reactor systems just to better handle this liquid—all in service of making more advanced drugs or innovative resins. The ability to donate hydrogen efficiently and to undergo selective modifications endears the molecule to industries that have to juggle purity, yield, and reliability.

Research & Development

The journey of 1,4-cyclohexadiene through the research literature tells a story of continual adaptation. As new catalytic techniques emerge, this molecule tracks right alongside, with teams testing its limits in newer, more sustainable reduction systems. Some research groups focus on harnessing its energy-rich double bonds for solar fuel applications or as components in next-generation batteries. The core lesson from research and development circles is that versatile molecules keep giving—each new trick discovered with 1,4-cyclohexadiene gets folded back into improved protocols, more efficient syntheses, or safer, greener processes. The rise of computational chemistry means we now model its reactivity on a computer before risking reagents in the lab, making progress incrementally safer and faster. Lab veterans pass on knowledge to the next generation, translating dry technical reports into practical, actionable experience.

Toxicity Research

As far as chemical risk assessment goes, 1,4-cyclohexadiene lands in the uncomfortable middle—less notorious than benzene, more worrisome than alkanes. Early toxicological studies pointed to respiratory and skin irritation, and rodent studies keep raising flags about long-term exposure. Regulatory agencies classify it as a hazardous substance due to its volatility and acute toxicity. Chronic exposure in animal models indicates adverse impacts on central nervous and reproductive systems, though specific data and long-term epidemiological studies in humans remain limited. Worker protection strategies lean on minimizing exposure with fume hoods, appropriate gloves, and strict adherence to time-weighted average air concentrations. The field of toxicology keeps pushing for better ways to predict and track low-level, chronic effects so users can make informed decisions on protocols or substitutions.

Future Prospects

Looking down the road, 1,4-cyclohexadiene appears likely to play a recurring role in synthetic chemistry and applied research. Pressure mounts to both reduce hazards and refine the efficiency of reactions involving this molecule. Advances in green chemistry point toward milder hydrogenation catalysts, safer handling protocols, and strategies that minimize waste. On the materials side, creative minds keep chasing specialized cyclohexane-based scaffolds for use in electronics, pharmaceuticals, and advanced plastics. The biggest improvement might come from bridging gaps between high-throughput experimentation and real-world manufacturing, using digital tools to cut down on risk while expanding the compound’s commercial and academic reach. For today’s and tomorrow’s chemists, the challenge will be leveraging 1,4-cyclohexadiene’s rich reactivity without losing sight of safety or sustainability—all while finding fresh uses for a compound that has already changed the field more than most students ever realize.




What is the chemical formula of 1,4-Cyclohexadiene?

The Formula: More Than Just C6H8

For many people, the name 1,4-cyclohexadiene doesn’t spark much recognition. It looks like another string of letters and numbers from a chemistry class they’d rather forget. But this clear liquid, with the simple chemical formula C6H8, has ties to fundamental reactions that drive both modern laboratories and industrial manufacturing. The formula tells a story: six carbon atoms, eight hydrogens, two double bonds. Though it fits the same base formula as other hydrocarbons, its ring structure sets it apart.

The Backbone of Its Structure

1,4-Cyclohexadiene sets itself apart with two double bonds fixed in the 1 and 4 positions of a cyclohexane ring. The double bonds shape its reactivity. Specific placements change how this molecule acts under heat or in the presence of certain catalysts. As fresh college graduates working through organic labs, many of us learned that these details make a difference in the outcome of a reaction. Misidentifying a position or misreading the number of hydrogens can derail hours of lab work—and in the professional world, can lead to lost material or worse.

The Real-World Importance

In synthesis, 1,4-cyclohexadiene acts as a reducing agent. Chemists often count on its ability to donate hydrogen atoms, especially in hydrogen transfer reactions. While that might sound technical, the practical side means this compound can cut down on wasteful steps or the need for expensive metals. In practical terms, it helps improve yields, making new drugs or fine chemicals possible using simpler routes. Pharmaceutical companies and researchers rely on this sort of efficiency—that’s money saved, and in tough projects, that margin can make an experimental therapy possible.

The compound takes part in many catalytic hydrogenation reactions, giving chemists options besides more hazardous hydrogen gas or expensive catalysts. My team once replaced gas-phase hydrogenation with cyclohexadiene in lab trials, dropping equipment costs and reducing safety risks. Those sorts of benefits matter when labs have tight budgets and tight timelines.

Risks and Handling

1,4-Cyclohexadiene is flammable and generates hazardous vapors. Its double bonds make it reactive with oxygen and some acids. Labs that treat volatile organics take precautions—proper ventilation, grounded containers, and flame-resistant lab coats keep people safe. From years in academic research, I’ve seen how easily old habits allow careless handling. Regular training and signage reduce these risks. Accidents involving compounds like this result more from familiarity leading to complacency than from inherent danger.

Mitigating Issues

Reactivity can bring hazards, but robust procedures counter most problems. Proper storage, keeping the material away from prolonged heat and light exposure, helps avoid decomposition. Regulatory compliance keeps quantities tracked, limiting potential exposure and ensuring that any incident, should it occur, can be quickly contained and reported.

Looking Ahead

Green chemistry is slowly shifting toward using fewer dangerous intermediates. Some newer catalytic systems are beginning to replace older hydrogen transfer agents, reducing fire risk and toxicity. Exchanging ideas across companies and research groups helps—publishing best practices encourages safer handling and fewer accidents industry wide.

1,4-Cyclohexadiene’s formula, C6H8, marks more than a schoolbook exercise; it points to a pivotal molecule that continues to help industry scale up safely, efficiently, and consciously.

What are the common uses of 1,4-Cyclohexadiene?

The Chemistry Lab Workhorse

If you spend any time in a synthetic chemistry lab, you’ll hear about 1,4-cyclohexadiene before too long. Every chemist I’ve met seems to have a story about it. It’s a source of hydrogen. You run a reduction and skip the hassle, the smell, and the expense of handling hydrogen gas. That convenience makes a difference when you’re doing long days of experimentation or scaling early-stage drug candidates. Instead of hunting for tanks or worrying about leaks, you reach for this liquid compound and keep your focus where it counts—on the chemistry.

Building Blocks and Pathways

Versatility matters in a research setting, and here’s where 1,4-cyclohexadiene pulls ahead. For folks synthesizing special molecules—materials, fragrances, drugs, or dyes—it acts as a platform. One common use is as a hydrogen donor for transition metal-catalyzed reactions, especially transfer hydrogenations. In my experience, using it saves time and avoids flammable gas cylinders. Colleagues preparing complex ring systems often turn to it because it lets them control reductions with an eye for selectivity. Instead of simply adding a blunt reducing agent, 1,4-cyclohexadiene lets chemists finesse the reaction and chase fewer by-products.

Transition Metals: The Quiet Backbone

One truth holds across labs—transition metals open new chemistry. Palladium, in particular, teams up with 1,4-cyclohexadiene in ways that shape new science and industry. For instance, 1,4-cyclohexadiene often gets used as a ligand stabilizer in organometallic complexes. Synthesizers of catalysts rely on it to protect metals like ruthenium or nickel during preparation and handling. I remember a friend working in polymer research mentioning how certain catalysts never worked right unless 1,4-cyclohexadiene was in the mix. It’s a classic case of a simple molecule punching above its weight.

Fuel for New Aromatics

In the manufacture of aromatic chemicals, 1,4-cyclohexadiene fills a different need. Its structure sits close to benzene. A little gentle oxidation or dehydrogenation converts it efficiently, and that’s valuable where benzene itself might not be safe or practical to use directly. Companies working on custom monomers for advanced plastics sometimes use this route. The molecule’s stability compared to other intermediates streamlines planning and cuts hazards, which matters to plant operators and to anyone thinking of workplace safety.

Challenges and Safer Practices

Every tool brings its challenges. 1,4-Cyclohexadiene’s liquid form saves headaches over gas handling, but it’s still flammable and needs careful storage. I’ve seen spill drills in university stockrooms that started with this bottle. Tight lids, flame-proof cabinets, and short shelf lives keep folks safe. From an environmental angle, waste management plans treat it with respect since incomplete combustion or careless disposal can cause pollution. Group discussions in sustainable chemistry keep circling back to alternatives and better recovery methods.

Steps Forward

Technology trends steer chemists closer to “greener” approaches. I hear people talk more about catalytic hydrogenations with safer hydrogen donors or even electrochemical processes. Still, 1,4-cyclohexadiene finds its place through reliability and fast access. Redesigning synthesis doesn’t happen overnight, so education on handling and regular reviews of emerging alternatives will keep improving lab safety and environmental impact. Every new researcher learns to balance practicality and responsibility, and the story of this molecule shows why experience in the lab still counts for so much.

Is 1,4-Cyclohexadiene hazardous or toxic?

What 1,4-Cyclohexadiene Does and Where It’s Found

1,4-Cyclohexadiene isn’t a name that pops up outside laboratories or chemical plants. It’s an organic compound used mainly as a precursor in the synthesis of different chemicals. If you’ve ever set foot in a research or industrial lab, you might have noticed the push for proper chemical handling, especially for compounds like this. Its structure—two double bonds on a six-carbon ring—makes it a handy building block in organic chemistry.

Looking at Hazards: Flammable, Volatile, and Reactive

The biggest thing that jumps out with 1,4-cyclohexadiene: the fire risk. This liquid easily vaporizes and catches fire near open flames or sparks. In my experience prepping reactions with it, a well-ventilated hood and no distractions were essential. The MSDS points out it can form explosive mixtures with air. That means even a small spill near electrical equipment can go bad quickly.

Its reactivity isn’t only linked to flammability. When mixed with strong oxidizers or acids, it can set off unexpected reactions—another reason chemical training is crucial in places that use it.

What About Human Health?

Breathing in its vapors brings irritation to the nose, throat, and lungs. I once helped monitor an undergraduate lab where someone accidentally spilled some. You could feel the throat burn even from a distance, and headache followed. Direct skin or eye contact stings and causes redness. Swallowing it is much worse, with nausea and nervous system effects possibly leading to dizziness or worse.

Reliable data on cancer risk or chronic exposure remains limited. The U.S. National Library of Medicine and European Chemical Agency both flag the compound for acute toxicity but stop short of calling it a confirmed carcinogen at typical exposure levels. Animal studies suggest potential risks, but translation to humans remains uncertain.

Risks in the Real World

1,4-Cyclohexadiene rarely shows up in consumer products. Those handling it are usually chemists, students, or plant workers—groups who typically get safety training. Still, accidents happen. I remember a fume hood malfunction during grad school that led to a brief evacuation, serving as a sharp reminder of how routines keep us safe.

The impact on the environment doesn’t get as much attention, but spills can mess with aquatic life. The compound doesn’t stick around for long in soil or water, but rapid evaporation doesn’t guarantee safety. Fish and insects exposed to high levels may suffer or die, and these changes ripple up the food chain.

Potential Solutions and Safer Practices

Substitution stands out. If you can switch out 1,4-cyclohexadiene for a less risky compound, do it. When substitution isn’t possible, ventilation, proper PPE, and training turn into the best shields against exposure. Labs or facilities that store this compound need leak detection systems and strict spill cleanup protocols, not just rules written in a binder.

Strict labeling, access controls, and regular refresher training help everyone keep risks in check. Emergency procedures need to be real habits, not just emergencies in theory. Chemical safety looks boring most days—right up until one mistake shows just how much is at stake.

Staying informed and taking practical steps makes a real difference. Proper handling, timely maintenance of equipment, and a culture of speaking up over safety concerns—these remain essential in any place working with 1,4-cyclohexadiene.

How should 1,4-Cyclohexadiene be stored and handled?

A Chemical Worth Respect

Anyone using 1,4-Cyclohexadiene needs to develop a healthy respect for its quirks and hazards. In the lab, small mistakes with volatile organics have a habit of multiplying. Experience on the bench teaches fast: too easy to forget to check a cap or ignore a faint aroma. Once, during a synthesis, I learned quickly about how these colorless liquids love to sneak out and fill up a room with fumes. Some chemicals produce little warning until it’s too late. 1,4-Cyclohexadiene falls into that group.

Why Storage Details Matter

Leaving this hydrocarbon out in the open racks up risk. Flammable chemicals draw oxygen, creating an environment that tempts fire. The vapor from 1,4-Cyclohexadiene spreads with a persistence unmatched by safer solvents. Modern statistics from the U.S. Chemical Safety Board show that improper storage remains a leading cause of lab accidents and fires. Roadside cabinets built for paint cans do not do the job. Flammable materials demand strong, approved cabinets that shield from both accidental ignition and sunlight.

Sunlight and air serve as enemies for 1,4-Cyclohexadiene. This liquid breaks down under light and forms peroxides when left with oxygen. Peroxides turn basic research into a ticking bomb. In graduate school, stories of peroxide explosions floated around almost every department. Supervisors checked old bottles for suspicious crystals and stains. The habit stuck: label with the date opened, close tightly, and never leave on a bench overnight.

Getting Personal with Protection

Anyone who values breathing should not work with this compound without a fume hood. The sweet, almost pleasant smell tries to trick users into forgetting the invisible risk. Respiratory irritation builds quickly, and nausea or headaches follow on bad days. Disposable gloves sometimes fool people into thinking they are safe, but these flimsy varieties break down. Nitrile gloves, splash goggles, and cotton lab coats stand as the minimum wardrobe here. I’ve run routine extractions dozens of times, and every shortcut with PPE led to stinging eyes or headaches that could have been easily avoided.

Tackling Emergency Risk

One incident convinced me to always keep spill supplies ready. A bump in a reaction knocked over a flask, and liquid coasted across the bench’s edge. Quick thinking—absorbing with sand and isolating waste—prevented something worse. Those experiences drive home the value of regular practice and proper setup. Fire extinguishers rated for chemical fires belong nearby, never tucked away in another room. Showers and eyewash stations should always stay unblocked—sounds basic until the day someone needs them.

Building Safer Habits

Good safety never happens by accident. Training, reminders, and gently calling out lapses in safety matter more than any written checklist. Supervisors who publicly replace cracked storage bottles or regularly check peroxide test strips set a tone. Policies shine brightest when backed by example rather than paperwork.

Modern chemical practice demands vigilance. The safe use of 1,4-Cyclohexadiene follows from tight storage in flammable cabinets, routine bottle inspections, clear labels, and disciplined protective gear. Complacency courts disaster. Sharing lessons, double-checking routines, and keeping emergency equipment out and ready make all the difference. Years of keeping routines sharp save more than time—they save health, space, and sometimes, lives.

What are the physical properties of 1,4-Cyclohexadiene (boiling point, melting point, etc.)?

Getting to Know 1,4-Cyclohexadiene

1,4-Cyclohexadiene is one of those chemicals that shows up everywhere from university labs to industrial settings. Anyone working with aromatic hydrocarbons gets familiar with this compound sooner rather than later. In the bottle, you see a clear, colorless liquid that gives off a noticeable odor — not something you’d want to sniff on purpose, but it’s hard to ignore in a small lab space. The molecule sports a six-membered ring with two double bonds, giving it unique reactivity. Yet its basic physical properties play just as meaningful a role as any chemistry textbook fact.

Boiling and Melting Point

Most daily users remember that 1,4-cyclohexadiene boils at around 80°C, similar to the temperature required to boil water for tea, but with a lot more volatility. The melting point drops down to about -100°C, which means you won’t find it as ice unless you dive deep below freezing. This difference between boiling and melting points matters because it gives a lot of flexibility in terms of storage and shipping. I’ve worked with samples delivered in steel drums from winter-chilled warehouses, with no risk of them freezing up during transport. As soon as the temperature heads above that extremely low melting level, you get back to dealing with a liquid.

Density and Solubility

A bottle of 1,4-cyclohexadiene weighs less than you expect. The density hovers around 0.87 grams per cubic centimeter — lighter than water, so it’ll float if you manage to spill some into a container of H2O. As far as solubility goes, you’re looking at a compound that doesn’t play well with water. Put a few drops in, and you’ll see slicks form immediately. Yet place it in common organic solvents like ether or ethanol, and it dissolves quickly. I’ve used it to tweak reaction mix viscosity and it handled well without separating out or making the solution cloudy.

Vapor Pressure and Storage Realities

One critical aspect often forgotten in beginner labs: its vapor pressure is not negligible. At room temperature, you’re looking at vapor pressures above 20 mmHg, much higher when heated. This matters a lot for storage. In my own experience, forgetting to seal a cap tightly after measuring can stink up an entire room and lead to rapid evaporation. Good venting and tightly sealed containers are absolutely worth the investment, and more than once, I’ve seen colleagues forced to reorder materials simply because half evaporated in a week due to negligence.

Handling and Personal Safety

The distinctive smell isn’t just unpleasant — it warns about volatility. It wouldn’t take much for the fumes to reach flammable levels. I learned to lean toward using flame arrestors and never took shortcuts on ventilation. One spark from static or an exposed wire could trigger a flash fire, especially in small, unventilated rooms found in older research buildings. So, whether working at scale or with tiny samples, proper chemical-resistant gloves and fume hoods become part of muscle memory.

What These Properties Teach Us

Reading up on 1,4-cyclohexadiene’s numbers is one thing, but working with it reveals just how much the physical properties shape safe handling and practical use. From storage choices to personal protection habits, real-world experience turns data points into daily decisions that keep experiments running smoothly and safely. Careful respect for its volatility and vapor pressure can make all the difference in environments where a chemical spill or fire would spell disaster. Keeping a personal log of reactions, spills, and near misses with this compound has done as much for my safety as any printed safety data sheet.

1,4-Cyclohexadiene
Names
Preferred IUPAC name Cyclohexa-1,4-diene
Other names 1,4-CHD
p-Cyclohexadiene
p-Dihydrobenzene
1,4-Dihydrobenzene
Pronunciation /ˌwʌnˌfɔː(r).saɪ.kloʊˈhɛk.səˌdaɪˌiːn/
Identifiers
CAS Number 110-83-8
3D model (JSmol) `data="create ChemDoodle.structures.molecule;[@C@H]([H])1C=CC=CC1([H])[H]"`
Beilstein Reference 1209246
ChEBI CHEBI:36466
ChEMBL CHEMBL14228
ChemSpider 7637
DrugBank DB01911
ECHA InfoCard 03f218e4-b32a-4784-817d-796b2702d1f1
EC Number 1.3.1.71
Gmelin Reference 742
KEGG C06593
MeSH D003463
PubChem CID 11070
RTECS number GN6475000
UNII F9X5M6UF0N
UN number “2048”
Properties
Chemical formula C6H8
Molar mass 80.13 g/mol
Appearance Colorless liquid
Odor aromatic
Density 0.887 g/mL at 25 °C
Solubility in water insoluble
log P 1.95
Vapor pressure 3.8 mmHg (20 °C)
Acidity (pKa) pKa = 28.0
Basicity (pKb) 18.87
Magnetic susceptibility (χ) -65.4·10⁻⁶ cm³/mol
Refractive index (nD) 1.485
Viscosity 3.47 mPa·s (20 °C)
Dipole moment 0.00 D
Thermochemistry
Std molar entropy (S⦵298) 256.6 J·mol⁻¹·K⁻¹
Std enthalpy of formation (ΔfH⦵298) +109.2 kJ/mol
Std enthalpy of combustion (ΔcH⦵298) -232.0 kJ/mol
Hazards
GHS labelling GHS02, GHS07
Pictograms GHS02, GHS07
Signal word Warning
Hazard statements H226, H304, H315, H319, H335
Precautionary statements P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P235, P405, P501
NFPA 704 (fire diamond) 1,2,0
Flash point 6 °C
Autoignition temperature 435 °C
Explosive limits 1.4–7.1%
Lethal dose or concentration LD50 (oral, rat): 968 mg/kg
LD50 (median dose) LD50 (oral, rat): 2200 mg/kg
NIOSH NA0393
PEL (Permissible) Not established
REL (Recommended) 25 ppm
IDLH (Immediate danger) IDLH: 500 ppm
Related compounds
Related compounds Benzene
1,3-Cyclohexadiene
Cyclohexene
Cyclohexane
1,4-Dihydroxybenzene