1-Hexanethiol: From Discovery to New Frontiers
Historical Development
Chemistry has a way of building progress with small steps, sometimes with molecules that hide their value behind a sour odor or a tough regulatory framework. 1-Hexanethiol entered the scene over a century ago, with early research looking to separate and identify sulfur-containing compounds from crude oil or plant sources. Researchers like Victor Grignard spent long hours in cramped labs, noting the sharp, garlic-like smells and figuring out the properties that distinguish thiols from their alcohol cousins. As the chemical industry surged with plasticizers, surfactants, and fuel additives, 1-hexanethiol found its way into many innovations—its reactivity made it a favorite among experts trying to bind organic layers on metals, tune the properties of sensors, or develop lubricants with sulfur as a workhorse. Looking at its journey, this thiol grew from a laboratory curiosity to a staple in the toolkit of organic and materials chemists.
Product Overview
1-Hexanethiol, known for its strong, disagreeable odor, takes the form of a clear to pale yellow liquid. It carries the formula C6H14S and a molar mass of 118.24 g/mol. In the marketplace, suppliers package it in sealed amber bottles or metal drums to keep out light and moisture, which can trigger slow degradation. It’s not something you stumble across in the grocery store—the chemical is sold in research or industrial settings, often labeled with hazard statements and instructions for protective handling. Chemists recognize it as a key building block for self-assembled monolayers, surface treatments, chain-transfer agents, and modifiers for nanomaterials. The utility of 1-hexanethiol depends on its purity, with most labs insisting on 98% or higher for surface-related applications because even a small impurity influences material performance or sensor reliability.
Physical & Chemical Properties
1-Hexanethiol stands out among organic compounds for its boiling point near 151°C and melting point around -99°C. It’s less dense than water, with a specific gravity of about 0.84 to 0.87 at 20°C. Solubility remains low in water, a trait typical of longer-chain thiols, but it mixes well with organic solvents like ethanol, ether, or chloroform. The vapor is heavier than air, and a small spill quickly fills a lab with an unmistakable odor. Hydrogen bonding doesn’t offer much in the thiol group, so unlike alcohols, 1-hexanethiol evaporates fast. In the open air, it slowly oxidizes, sometimes resulting in disulfide formation or a color shift in the bottle. Handling it means understanding volatility, persistence, and its high affinity for skin and mucous membranes, which helps explain why safety data sheets emphasize gloves and goggles without compromise.
Technical Specifications & Labeling
Reputable vendors print batch-specific details including purity (98% or more), GC retention times, physical appearance, water content, storage instructions, and recommended shelf life on their documentation. The material carries hazard warnings for acute toxicity, environmental hazard, and flammability. Labels often refer to its UN number, packing group, and regulatory details required by OSHA, REACH, or GHS. Barcode tracking has become the norm in research organizations aiming to control inventory of volatile organosulfur compounds. There’s a big difference between technical-grade product used for surface etching and analytical-grade lots where trace metals would lead to interference in high-precision work. In my own experience, the best suppliers keep documentation at your fingertips and train their drivers and staff for emergency spills, reinforcing the importance of diligence at every handoff.
Preparation Method
Synthesis of 1-hexanethiol typically starts from 1-chlorohexane or 1-bromohexane, using sodium hydrosulfide or thiourea in a heated reaction with proper solvents such as ethanol or water. Once the alkyl halide reacts with the sulfur source, isolation usually involves distillation under reduced pressure. In academic and industrial settings, attention to temperature, stoichiometry, and purity of reactants makes a difference—side reactions or incomplete conversions often leave persistent odors, making cleanup a special challenge. Over the years, green chemistry approaches have sought to minimize waste streams and employ less hazardous reagents, but the backbone process still mirrors what organic chemists practiced 60 years ago. Some newer techniques deploy phase-transfer catalysis or ionic liquids, promising fewer byproducts and easier separation. Still, the bulk of what’s used in industry comes from classic batch or continuous systems involving simple, scalable reagents.
Chemical Reactions & Modifications
Chemists call on 1-hexanethiol for its reliable reactivity at the sulfur atom. The thiol group forms strong bonds to metals like gold, silver, or copper, turning 1-hexanethiol into a key ingredient in self-assembled monolayers (SAMs) and corrosion inhibitors. Reactivity with alkyl halides creates thioethers—these compounds bring chemical resistance and useful solubility profiles. Oxidation by mild agents gives disulfides, while stronger oxidizers push things to sulfoxides or sulfones. Attaching esters or carbamates confers completely new properties, opening doors to pharmaceuticals, flavors, or specialty lubricants. In environmental chemistry, 1-hexanethiol reacts with heavy metals, which helps trace and remediate contaminated soils or waters. Academic groups keep expanding the list of transformations—cross-linking, polymer grafting, and nanoparticle anchoring keeps this simple six-carbon chain at the center of complex innovations, with patents showing novel uses year after year.
Synonyms & Product Names
Anyone scanning catalogs or research articles finds 1-hexanethiol under names like n-hexyl mercaptan, hexyl mercaptan, n-hexanethiol, or 1-mercaptohexane. The name “mercaptan” stretches back to early 19th-century work when chemists observed how these compounds grabbed onto metals. It pops up in trade literature and across regulatory documents—sometimes listed by CAS number 111-31-9, EC number 203-860-3, or regulatory codes for shipping. Distributors occasionally append suffixes to designate different grades or packaging forms, especially if the product’s heading to a pharmaceutical or electronics customer. The variety of terminology highlights the global reach of thiol chemistry across multiple sectors.
Safety & Operational Standards
Anyone who’s worked with 1-hexanethiol knows the safety rules aren’t just bureaucratic boxes to check. Exposure carries acute risks—skin or eye contact can cause serious irritation, even burns, while inhalation of vapors quickly causes headaches, nausea, or respiratory discomfort. Chemical odor remains intense even at low concentrations, and overexposure sometimes sneaks up fast if ventilation falls short. Storage design matters—labs keep 1-hexanethiol in cool, dry, dedicated cabinets with spill containment measures. Every container must wear clear, legible labels and instructions for quick access to first-aid recommendations. Local exhaust or gloveboxes minimize airborne hazards; chemical-resistant gloves and full goggles protect hands and eyes. I’ve watched old hands in chemical plants treat every drop with care, knowing that sulfur compounds linger in soft materials, on tools, and in the memory of anyone who’s experienced a spill cleanup. Emergency protocols become real-world insurance, not theory, especially if a bottle tips over in a shared space.
Application Area
1-Hexanethiol delivers its value through a mix of chemical reactivity and surface modification properties. Electronics engineers rely on it to form ordered layers on gold microelectrodes, tuning the response of biosensors or microchips. In corrosion science, the same bonding covers copper or silver parts, extending their life in harsh environments. Researchers controlling the growth of nanoparticles pick 1-hexanethiol for its ability to cap and separate uniform particles, halting unwanted growth and boosting reproducibility. The lubricants industry taps into its sulfur content, improving pressure resistance in specialty greases or oil formulations. Its stubborn odor keeps it out of flavors or fragrances, but trace roles pop up in processes for synthesizing antioxidants, rubber additives, and pharmaceutical intermediates. Environmental technicians sometimes deploy it as a standard or surrogate in analysis of water or soils contaminated with other mercaptans. The range of uses shows the reach of sulfur chemistry, even in fields that rarely cross paths on the surface.
Research & Development
Every time a new material property or electronic device needs a fine-tuned surface, 1-hexanethiol appears in research journals and patents. Material scientists develop new monolayer architectures for electronics, batteries, and optical sensors, building on the reliable gold-sulfur bond formed by thiols. Environmental labs study how 1-hexanethiol interacts with contaminants or forms disulfide byproducts in advanced water treatment schemes. Chemical companies test novel catalysts or lubricants, tweaking the chain length or substituents to strike just the right performance balance. Synthetic chemists design new methods to introduce the thiol group into complex molecules, hunting for cheaper, safer, or greener production techniques. In the academic world, grants and conferences keep shining a light on thiol-based surface chemistry as nanotechnology, sensing, and medicine pull closer together. The pace of innovation keeps rising, spurred by a growing need for precise chemical control at the atomic or molecular scale.
Toxicity Research
Toxicologists have long recognized the dangers of short-chain thiols like 1-hexanethiol. Studies show acute toxicity in rodents, with LD50 values in the range of a few hundred milligrams per kilogram for oral or dermal exposure. Prolonged inhalation causes respiratory distress, damage to mucous membranes, and sometimes neurological symptoms. In humans, even brief exposure above recommended limits brings headaches, burning, and nausea, with asthmatics facing particular risk. Environmental persistence means 1-hexanethiol can impact aquatic organisms at low concentrations. Regulatory agencies insist on strict workplace exposure limits, typically under 0.5 ppm for an eight-hour time-weighted average, and require spill mitigation plans for facilities handling bulk lots. Laboratory research keeps exploring metabolic pathways for detoxification, but accidental poisonings still occur when personal protective equipment falls short. Newer studies try to establish chronic exposure risks as demand and production volumes rise.
Future Prospects
Looking forward, acceleration of flexible electronics, advanced sensors, and catalytic systems will likely push demand for 1-hexanethiol higher. Startups probing nanotechnology and biotech continue to seek molecules that manage surface interactions with sharp selectivity, and research keeps generating new derivatives derived directly from the simple six-carbon chain. Environmental and regulatory challenges may drive development of safer, less volatile analogs, or inspire greener synthesis techniques. Digitization and automation in quality control make bulk handling safer and more precise, but the persistent odor profile and toxicity ensure responsible stewardship will remain at the forefront. People in the field keep innovating ways to recycle spent thiol-containing materials, cut waste, and reduce workplace incidents. The legacy of 1-hexanethiol grows as both a tool of possibility and a reminder that chemistry always brings balances—between utility, safety, and environmental impact.
Understanding 1-Hexanethiol
1-Hexanethiol carries a strong, pungent smell. Working around it, I’ve always been careful with gloves and good ventilation. The compound pops up mostly in research labs and specialty chemical production. Folks can spot it by its distinct sulfur tang, almost like rotten cabbage. This molecule shows up in a bottle as a colorless-to-pale yellow liquid, packing six carbon atoms, a sulfur atom, and a hydrogen sticking out, which chemists call a thiol group.
Applications in Making Advanced Materials
If you ask any materials scientist about 1-hexanethiol, stories about gold nanoparticles usually come up. Chemists use this stuff in gold surface modification. That means using 1-hexanethiol molecules to coat gold surfaces, changing how gold reacts with other chemicals. The coating helps build sensors, especially those used in medical or environmental testing. The strong bond between the sulfur and gold atoms brings stability. In my own lab work with biosensors, a simple thiol chain made the difference between fuzzy and clear data, and 1-hexanethiol always sat on the shelf for those particular tweaks.
This molecule often helps researchers change the properties of surfaces. It forms self-assembled monolayers on metals. The resulting layers control how the surface acts—making metal water-repellent, less sticky, or more receptive to specific molecules. In electronics, I’ve seen 1-hexanethiol show up in studies focused on organic field-effect transistors and molecular electronics. These areas matter because engineers push for smaller, smarter, and more reliable devices all the time.
Role in Organic Synthesis and Industrial Chemistry
Chemists value 1-hexanethiol as a “building block” in organic synthesis. It works well for creating thioethers and other sulfur-containing compounds. These play a part in making flavors, fragrances, pesticides, and pharmaceuticals. Anyone mixing up new medicine formulas or pest killers pays attention to these basic ingredients. On the food side, the thiol structure sometimes links to strong flavors in dishes like truffles or certain wines—although the pure chemical is far too intense and dangerous to use directly in cooking.
From my own time handling chemicals, I know manufacturers turn to 1-hexanethiol because it offers a reliable and predictable way to introduce sulfur in tiny molecular tweaks. This isn’t a flashy use, but in industries where creating something safe and consistent matters, reliability gets top billing.
What About the Risks?
Work with 1-hexanethiol always means dealing with strong odors and risks to health. Breathing it can irritate the lungs and eyes. Long-term or careless exposure raises big safety questions. I remember coworkers grumbling about the lingering smell long after the experiment wrapped up. Lab trainers always stressed that exposure means following strict safety rules: gloves, goggles, and always keeping bottles tightly sealed. Like any chemical, mistakes or shortcuts open the door to health problems.
Weighing the Importance
People sometimes overlook basic chemicals as uninteresting, but 1-hexanethiol plays a surprisingly large role in material science and industry. No one expects everyday folks to come across it at home, but behind the scenes, it shapes technology and helps drive research in cleaner sensors, more reliable electronics, and new medicine. For chemists, handling it properly matters as much as any technical step. Companies, too, need to put strong worker protections in place and support regular training, not just to check a box but to build a real safety culture. Science keeps moving, and tools like 1-hexanethiol make a quiet but real difference.
Understanding the Risks
1-Hexanethiol, with its sharp, almost overwhelming odor, stands out as a chemical that deserves respect in any workspace. A careful hand and a clear head both matter each time it’s about to be used. Anyone who’s worked in a lab with this compound knows how quickly its smell can fill a room and how fast skin or eyes react if splashed. It doesn’t just stop at irritation either—at higher exposure, you deal with headaches, dizziness, and longer-term harm if things go sideways. Being careless with 1-hexanethiol can land people in the emergency room.
The Right Protective Gear
Gloves aren’t just for looks. Standard nitrile or butyl gloves hold up against 1-hexanethiol. They need to fit right and stay free from any tears. I’ve seen people shrug off goggles before, but a single splash into the eyes tells you how hard it is to flush out sulfur compounds. Laboratories keep chemical-splash goggles and face shields ready, since ordinary glasses leave the sides of your eyes exposed. A solid lab coat or apron helps because one drop on a sleeve can mean a lingering odor and risk all day. Besides skin, lungs matter just as much. Fume hoods should always stay on when working with this liquid, because even a whiff at the wrong time can cause a rough cough, watery eyes, or worse. Regular room ventilation doesn’t pull enough air; you need extraction right from the workspace.
Smart Storage and Transport
1-Hexanethiol shouldn’t sit just anywhere. Keep it in tightly sealed glass bottles, not plastic, since thiols often react with softer plastics after after some time. All containers need proper labeling. People sometimes forget: labels fade or fall off, and one mix-up can end with serious problems. Store it low and away from light, since heat can cause vapor pressure to build and pop tops loose. Flammable cabinets are the right place, because this chemical burns fast. Don’t just leave it on crowded benches where bottles could tip—one break can clear a room for hours.
Dealing with Spills and Waste
Minor spills involve much more than a paper towel. Throw absorbent material—such as vermiculite or universal pads—over the liquid right away, and bag everything in an airtight way. Keep your nose out of the air until all traces are cleaned, because even leftovers leave a strong smell and a lasting headache. For heavier spills, stop and notify a supervisor or the risk team. Don’t try crowding around when fumes build up. Only those with proper respirators and chemical suits should step in.
Training and Emergency Preparedness
Book learning only gets you halfway ready for real events. Every workplace should run drills that cover spills, splashes, and accidental inhalation. Eye-wash stations and showers must work, and everyone should know where they are and how to use them blindfolded. Having an MSDS sheet handy isn’t just paperwork—it gives fast answers if things go wrong. In my experience, emergencies rarely look like the textbook cases. Running through possible accidents ahead of time keeps people calm and efficient when minutes count.
Better Approaches and Moving Forward
Engineering controls, such as sealed lines or automatic dispensing, reduce direct contact and the odds of a spill or escape. Because many accidents come from tiredness or rushing, every shift in the lab needs a culture that values slow, purposeful movements and real teamwork. Policies don’t mean much without daily buy-in from everyone. Real safety grows from clear expectations, proper equipment, and a shared belief that no shortcut is ever worth the risk. Newer detection systems that sense thiol vapors can warn of problems before people even notice them, and better glove materials keep hands safe for longer periods. Every year brings safer ways to handle reactive compounds, but none of them matter if the basics—respect, attention, and preparation—get ignored.
What Makes Up 1-Hexanethiol?
1-Hexanethiol stands out for its importance in both the lab and industry. At its core, the chemical formula for 1-Hexanethiol is C6H13SH. The structure begins with a six-carbon chain (hexane backbone), and at the end sits a thiol group—basically, a sulfur atom bonded to a hydrogen (the -SH group). Most people working in chemistry learn formulas quickly, but the real key is learning how these features change a compound's behavior.
The Role of the -SH Group
This thiol group separates 1-Hexanethiol from plain old hexane. That sulfur atom gives 1-Hexanethiol its strong, distinct smell—one you won’t soon forget if you ever open a bottle. Thiol groups bring unique reactivity, especially a tendency to bond with metals. I’ve seen this firsthand, especially during work on surface coatings and nanoparticle synthesis, where the -SH group acts as a sort of “hook,” letting 1-Hexanethiol attach itself to gold particles or even silver films.
Why Accuracy Matters with Chemical Formulas
Getting the chemical formula right isn’t a question of memorization for the sake of an exam. Every atom listed matters in real-world applications. If you leave off the -SH, you lose the function. Mix up a carbon or hydrogen, and the compound could behave very differently—think about how butanethiol or octanethiol, with longer or shorter chains, have different boiling points and interactions.
In my lab years, a single number’s difference in a formula has changed project outcomes. Once, we tried to make a self-assembled monolayer on a gold slide, but using pentanethiol (C5H11SH) instead of hexanethiol led to spottier coverage and weaker bonds. That simple, single-digit miss really changed the result. That’s why chemical formulas aren’t just for textbooks.
Where 1-Hexanethiol Finds Its Place
Engineers and chemists reach for 1-Hexanethiol because of its versatility. It finds use in organic synthesis, surface science, and even in electronics, helping build protective layers or sensors. The unique smell ties back to its use in natural gas leak detection, though stronger thiols get picked for commercial odorants.
Academic research often relies on the thiol group’s reactivity to anchor molecules to metal surfaces, which can help create sensors capable of detecting toxins, heavy metals, and even biomarkers in medical diagnostics. I remember working on a student project using a gold film and 1-Hexanethiol to make a prototype chemical sensor—a simple, hands-on example of how precise chemical formulas form the bones of big ideas.
Moving Toward Safer, Smarter Use
Everywhere 1-Hexanethiol appears, safety jumps to the top of the list. Those sulfur-based smells aren’t just annoying—they signal the potential for toxicity with overexposure. Students and workers need strong ventilation protocols and skin protection. Faulty storage often leads to leaks, so proper containers and safety training often make the most difference.
More awareness and routine education help reduce risk, both in labs and industry. Even as synthetic chemistry advances, principles grounded in strong foundational knowledge—like knowing that C6H13SH equals 1-Hexanethiol—remain vital for progress and safety.
Understanding 1-Hexanethiol’s Nature Means Respecting Its Hazards
1-Hexanethiol doesn’t show up much outside labs or factories, but for those working with chemicals, it stands out. With a strong odor, easy flammability, and the ability to irritate skin and lungs, it calls for real respect. Some chemicals—like table salt—don’t really care where you put them. This one cares. Spills and fumes turn a day at work into an emergency.
Why Proper Storage Matters
Too many lab accidents start because a bottle landed near a heat source or a vapor-sensitive chemical. Fires or toxic exposures are rarely just bad luck; they unfold step by step from small decisions. No one should gamble with the health of people nearby or risk damaging property over shortcuts.
The risks aren't theoretical. 1-Hexanethiol forms combustible vapors at room temperatures. Just a single static spark can ignite them. Old or poorly sealed containers let fumes find their way into the air, not only ramping up inhalation risks but making immediate neighbors nervous—no matter how strong their coffee.
Smart Storage Practices Make the Difference
Glass containers with tight-fitting lids work best. Metal and plastic both break down with time—or worse, react with 1-Hexanethiol, causing leaks. Keep every container in a well-ventilated space, not packed where vapors could linger if something spilled. In my own lab years ago, we kept a “stink shelf” for anything with sharp odors, always below eye level and in ventilated cabinets, far away from heat or flame sources.
Never stack these bottles near oxidizing chemicals. These combinations create dangerous reactions. A real situation in a university lab years back drove this point home: a misplaced bottle of oxidizer next to a leaky container like this led to a sprint for the eyewash and a quick call to the fire department. Labels faded over time don’t help, either. Mark every bottle clearly, with date of receipt, and leave no questions for the next person.
Safety Gear Means More Than Just Checking a Box
Even if storage works perfectly, handling still matters. Anyone reaching for the container should use gloves made of nitrile because standard latex won’t cut it, and splash goggles for the eyes. Open the container only under a properly working fume hood, not just a cracked window. Moving it from place to place calls for secondary containment—those unbreakable trays that catch leaks nobody expects but everybody dreads cleaning.
Leaning on Training, Not Hope
Lab safety isn’t optional. For 1-Hexanethiol, training must go beyond online quizzes. Run short drills. Let every newcomer see the MSDS and demonstrate how to check containers. A culture of safety respects the dangers, but it also values the humans at risk. All the gear in the world won’t protect a careless hand or a rushed afternoon.
Building Good Habits Saves More Than Chemicals
Add up the costs of ruined equipment, wasted research, and time off after an exposure, and the smart play becomes obvious. Good habits around storage save money, headaches, and sometimes much worse. The extra steps on day one stop tomorrow’s emergencies cold.
The Nature of 1-Hexanethiol
Anyone who has ever worked with organic chemicals has probably dealt with some memorable smells, and 1-hexanethiol certainly stands out. With its strong, sulfurous odor that takes over the room, handling this liquid never needs a label to get your attention. Its structure, six straight carbons capped by a -SH group, gives it much of its personality from both the hexane backbone and the thiol group’s unique chemistry.
Liquid State and Appearance
1-Hexanethiol greets you as a colorless to pale yellow liquid, reflecting light with a subtle sheen that signals its oily consistency. At room temperature, it flows easily—almost like a light machine oil, but with that unmistakable odor trailing behind. This is no lab curiosity; spill a drop on your gloves and you’ll remember to work cautiously.
Smell That Won’t Quit
Standing out most about 1-hexanethiol: the smell really lingers. This isn’t just an inconvenience; it’s a safety marker that keeps chemists and technicians on their toes. That harsh, almost rotten aroma isn’t just a warning—it’s a reminder of how easily the molecule evaporates into the air. Even at low concentrations, the compound’s volatility and vapor pressure make its scent travel well.
Boiling and Melting Points
Anyone who cares about storing or using chemicals pays attention to boiling and melting points. 1-Hexanethiol boils around 151-154°C. That means it stays liquid on even the hottest summer day, though in industrial labs, open containers can still evaporate over time if left exposed. The melting point sits down at around -95°C, so you can count on it to stay liquid long past the point where water or even alcohols would freeze.
Solubility and Mixing
Try pouring a few milliliters into water and watch as beads form right on the surface—1-hexanethiol won’t dissolve, no matter how much you stir. It resists water like oil, but pours smoothly into nonpolar solvents. Think hexane, diethyl ether, or chloroform: blending goes smoothly here. This makes it easy to separate or extract when preparing mixtures, though it presents real challenges during cleanup.
Density and Molecular Weight
Its density comes in at about 0.84 g/cm³, so it will float on top of water in most settings. Combine that lower density with a molecular weight of 118.24 g/mol and you get a sense of why it behaves the way it does, skeetering across glassware and rarely sinking where you expect.
Everyday Relevance and Handling Tips
I learned the hard way that proper ventilation really matters with this compound. The strong odor makes it easy to detect even minute leaks, which helps prevent accidental exposure. Gloves and eye protection aren’t negotiable; that sharp aroma isn’t just annoying, it signals possible irritation both to skin and lungs. Always use a fume hood. Storage goes best in tightly sealed containers, in cool areas away from sunlight. Since the substance catches fire at relatively low ignition points, keeping sources of sparks far away makes a world of difference.
Where Precision Matters
Knowing these physical traits helps labs plan safe storage, anticipate spills, and keep workspaces safe. Teams who handle 1-hexanethiol often look for absorbents that soak up oily liquids without spreading the stink. Investing in proper ventilation and routine safety training allows for smoother operations.
Making Informed Choices
Understanding this compound at a practical level goes beyond just memorizing numbers. Once you’ve smelled it, handled it, and seen how it behaves in real-world use, those textbook values take on life. Anyone looking to work with 1-hexanethiol can benefit from learning these key characteristics the hands-on way, but using facts and strong safety habits as their foundation.
| Names | |
| Preferred IUPAC name | hexane-1-thiol |
| Other names |
Hexyl mercaptan
Hexanethiol n-Hexyl mercaptan |
| Pronunciation | /ˈwʌnˈhɛk.sənˌθaɪ.ɒl/ |
| Identifiers | |
| CAS Number | 111-31-9 |
| Beilstein Reference | 1207554 |
| ChEBI | CHEBI:63116 |
| ChEMBL | CHEMBL156119 |
| ChemSpider | 55098 |
| DrugBank | DB01961 |
| ECHA InfoCard | ECHA InfoCard: 100.003.817 |
| EC Number | 211-529-5 |
| Gmelin Reference | 87806 |
| KEGG | C01583 |
| MeSH | D006613 |
| PubChem CID | 8097 |
| RTECS number | MN1400000 |
| UNII | 91WG4T3U8Y |
| UN number | UN2286 |
| Properties | |
| Chemical formula | C6H14S |
| Molar mass | 134.26 g/mol |
| Appearance | Colorless to yellow liquid |
| Odor | unpleasant, garlic-like |
| Density | 0.844 g/mL at 25 °C (lit.) |
| Solubility in water | Insoluble |
| log P | 2.9 |
| Vapor pressure | 1 mmHg (20 °C) |
| Acidity (pKa) | 10.5 |
| Basicity (pKb) | 3.56 |
| Magnetic susceptibility (χ) | -75.0×10⁻⁶ cm³/mol |
| Refractive index (nD) | nD 1.440 |
| Viscosity | 2.16 mPa·s (25 °C) |
| Dipole moment | 1.51 D |
| Thermochemistry | |
| Std molar entropy (S⦵298) | 309.6 J·mol⁻¹·K⁻¹ |
| Std enthalpy of formation (ΔfH⦵298) | -117.9 kJ/mol |
| Std enthalpy of combustion (ΔcH⦵298) | -4095.3 kJ/mol |
| Hazards | |
| GHS labelling | GHS02, GHS06, GHS07, GHS08 |
| Pictograms | GHS06, GHS08, GHS09 |
| Signal word | Warning |
| Hazard statements | H225, H302, H311, H314, H331, H335, H411 |
| Precautionary statements | P210, P261, P273, P280, P301+P310, P303+P361+P353, P304+P340, P305+P351+P338, P312, P330, P370+P378, P403+P233, P501 |
| NFPA 704 (fire diamond) | 2-2-4-W |
| Flash point | 88 °F (31 °C) |
| Autoignition temperature | 215 °C |
| Explosive limits | 1.1% - 6.2% |
| Lethal dose or concentration | LD50 oral rat 482 mg/kg |
| LD50 (median dose) | LD50 (median dose): Oral rat 3050 mg/kg |
| NIOSH | UN1208 |
| PEL (Permissible) | PEL: 1 ppm (Skin) |
| REL (Recommended) | Gloves, Eyeshield, Respirator |
| IDLH (Immediate danger) | 100 ppm |
| Related compounds | |
| Related compounds |
Hexyl acetate
1-Hexanol 1-Bromohexane |
