The story of 3-(4-tert-butylphenyl)propionaldehyde is a tale that fits neatly into the larger tapestry of organic chemistry during the 20th century. Early on, chemists started with simple aromatic aldehydes and began introducing bulky alkyl groups to fiddle with structure and reactivity. Tinkering with the tert-butyl group opened new doors in fragrance chemistry and provided better stability for further transformations. In labs across Europe and North America, researchers eyed aldehydes like this one for both their unique scent qualities and their ability to serve as robust building blocks in larger syntheses. These experiments, sometimes driven as much by curiosity as commercial value, paved the way for broader use in both research and industry.
3-(4-tert-butylphenyl)propionaldehyde stands out in its arena. The molecule sports a three-carbon side chain attached to a benzene ring, itself marked with a tert-butyl group. This bit of structural bulkiness does more than just change how the molecule behaves; it shapes its scent, its durability in mixtures, and how it interacts with other reactants. Over the years, the chemical has gained respect for its flexibility—not just in the making of perfumes and flavors, but also as a valued intermediate in pharmaceuticals and polymers. It manages to hold its ground through a variety of processing steps, which is no small feat in scale-up runs.
You can run your fingers down the safety sheet and see that 3-(4-tert-butylphenyl)propionaldehyde typically appears as a pale-yellow liquid, depending on its purity and source. Its melting point sits well below room temperature, while the boiling point stretches above 130°C at reduced pressure. With moderate solubility in a range of organic solvents, but pretty much insoluble in water, it behaves much like other bulky aromatic aldehydes. Introduce it to oxygen and light, and the aldehyde group doesn’t shy away from oxidation, which calls for careful storage. Aromatics with tert-butyl groups bring a certain hardness, an edge to the otherwise sweet, slightly floral aldehyde scent.
Most suppliers offer the substance at high purity, often 98 percent or higher. Labels must clearly state not only the chemical name but also include its synonym, 3-(p-tert-butylphenyl)propionaldehyde, and common product identifiers like CAS No. 55581-78-1. Batch numbers, date of manufacture, and shelf life also go right on the drum or bottle. Safety information—hazard pictograms, precautionary wording, recommended storage temperature—travels right with the label because anyone working with large quantities needs immediate access to this. Tracking documentation through each leg of its journey encourages accountability and quality control.
Labs usually turn to side-chain alkylation or catalytic hydrogenation when making 3-(4-tert-butylphenyl)propionaldehyde. The journey may start with 4-tert-butylbenzaldehyde, hitching on a propanal group using a Friedel–Crafts alkylation, or by selectively reducing an acid or ester precursor. Hydrogenation with palladium on carbon and careful monitoring, both for pressure and temperature, help ensure high selectivity and yield. Some manufacturers use an aldol reaction between 4-tert-butylbenzaldehyde and propionaldehyde, then carefully control the downstream steps to avoid over-reduction or unwanted polymerization. Handling this synthesis at scale isn’t trivial; aside from safety, it’s about getting just enough reaction without tipping toward side-products.
Chemists use the aldehyde group as a launchpad, oxidizing it to the corresponding acid, reducing to alcohol, or jumping into condensation reactions. With a tert-butyl group quietly blocking para-substitution, the aromatic ring stays resistant to some forms of electrophilic attack but still dances with other reagents in cross-couplings or nitration reactions. In my time with synthetic labs, the addition of nucleophiles or the use of Wittig reagents on this aldehyde has provided reliable access to a wealth of aromatic derivatives, each with their own practical applications.
You may hear folks in the lab or industry call it by several labels: p-tert-butylhydrocinnamaldehyde, PTBCA, or simply 4-tert-butylhydrocinnamaldehyde. In catalogs and regulatory documents, 3-(p-tert-butylphenyl)propionaldehyde is just as common. Fragrance houses might use a trade name or blend designation when it forms a key note in a product suite.
Safety routines shape daily practice. Spills call for quick containment with absorbent materials, since aromatic aldehydes can irritate skin and respiratory passages. Eye protection isn’t optional—splashes sting fiercely. Storage calls for dark, cool environments with careful sealing, as light and air can degrade the chemical to acids or peroxides over time. Employees keep tabs on ventilation, especially in pilot plants or warehouse settings, where vapors drift. Waste gets collected separately; aldehyde residues need controlled neutralization before disposal. Anyone handling bulk shipments needs both regular safety training and transparent documentation, backing up every movement with a clear chain of custody.
Perfume labs account for much of the commercial pull; this aldehyde gives floral, fresh, persistent notes that blend into luxury and consumer scents alike. Its stability at high dilution lets it show up in high-end designer fragrances or air fresheners that sit on supermarket shelves. Over the years, chemists have found its value in pharmaceuticals—not as a drug itself, but as a versatile intermediate in building blocks for antihistamines, or even as a precursor to more complicated molecules. Polymer science has dipped into the well as well: using it to tailor flexibility, toughness, or resistance in plastics that need aromatic stability. In each scenario, the tert-butyl group holds onto scent and structural impact longer, despite heat or exposure.
Research has expanded into exploring reactions that demand unusual selectivity. Academic labs and companies keep testing catalytic alternatives to reduce waste, like greener solvents and recyclable supports for hydrogenations or oxidations. I’ve seen university consortia team up with manufacturers to shorten synthesis steps or scale up in continuous flow reactors, aiming for higher productivity with less labor and hazard. Recent studies have even tested bio-based routes that swap petrochemical ingredients for renewable feedstocks, a welcome shift as environmental pressure mounts. The chemical structure itself crops up in pharmacological screens, each tweak opening up new properties for drug discovery.
Animal testing flagged moderate acute toxicity; inhalation or ingestion can trigger irritation and, at higher exposures, central nervous system effects. Chronic exposure studies point to possible liver and kidney stress. Short stints in a well-managed lab may not raise issues, but chronic exposure needs strict limits. Industry reviews across continents—Europe’s REACH framework, US EPA chemical safety programs—have prompted stricter workplace monitoring. Most users now stick to gloveboxes or ventilated hoods, with meticulous record-keeping on health reports. Researchers continually dig deeper, using in vitro assays and computational models to gauge risks long-term, aiming for replacements or safer handling protocols if new dangers emerge.
3-(4-tert-butylphenyl)propionaldehyde sits at a crossroads. Trends in fragrance design point to continued use, especially as regulations push for more stable components that hold up in low-dose blends. Green chemistry demands push labs to invent shorter, cleaner synthetic paths; this molecule, being both versatile and robust, attracts plenty of attention for process improvement. Pharmaceutical research keeps it in the running as a scaffold for next-generation APIs. If government and consumer push for safer, more sustainable ingredients continues, the pressure to waste less and handle less hazardous byproducts will only intensify. From what I've seen, the avenues for improved synthesis, expanded applications, and a closer eye on environmental footprint all point to a product still on the move, not stuck in the patterns of yesterday.
Diving into any molecule with an intimidating name feels daunting without a map. 3-(4-tert-butylphenyl)propionaldehyde might seem like a puzzle, yet its construction follows a pattern chemists have mastered for decades. Here, the backbone traces back to benzene, that stable six-carbon ring that becomes almost a blank canvas in organic chemistry labs.
Looking at this compound, you spot three direct features: a benzene ring, a tert-butyl group, and a propionaldehyde tail. The tert-butyl group stands as a bulky cluster, four carbons huddling together in a branched “T” sticking to the fourth carbon of the benzene ring. It's a common move in synthetic chemistry to add bulk for selectivity, fitting a molecule with a bigger footprint into a biological pathway or delaying how enzymes chop it apart.
The chain that gives this molecule its name—propionaldehyde—runs off the benzene like a handle. This part brings two carbons and ends in an aldehyde group. The point of attachment matters: on the benzene ring, numbering starts wherever priority groups sit, and here the propionaldehyde branch claims the “3-position.” So, the entire package becomes a phenyl (benzene-derived) structure with a tert-butyl branch hanging from the fourth slot, and a propionaldehyde chain stretching from the third.
If you imagine putting pen to paper and sketching the chemical skeleton, most people start with the benzene ring. From there, the tert-butyl group juts out—one carbon tied to three more, forming a tight bunch sticking out from carbon four. The opposite side at carbon three hosts the propionaldehyde, its straight chain capped off with an aldehyde group (–CHO). The arrangement is not just for show. Bulky tert-butyl rings shield nearby chemical sites. Aldehyde groups are known for reactivity, making this structure useful in fragrances, flavorings, and as a starting point for other syntheses.
Molecular layout matters. Structure hints at how the compound behaves. That tert-butyl bulge changes the wave of electrons in the ring, dampening some reactions and favoring others. Over the years, researchers have learned how adding groups like tert-butyl creates stability, reducing unwanted side products. For a molecule used in perfumery, that means longer-lasting fragrance notes. Aldehyde groups bring crisp, fresh characteristics, sometimes described as “green” or “ozonic” in scent chemistry. Knowing where everything sits on the ring also shapes how living systems recognize or transform the molecule.
Safety plays a role too. Aldehyde functions call for care—strong fragrances often come from these groups, but so do potential irritants. Understanding structure supports safe usage guidelines and the development of alternatives if issues crop up.
With increased demand for unique flavors and fragrances, scientists look for ways to craft molecules like 3-(4-tert-butylphenyl)propionaldehyde more efficiently and with less waste. Sustainable chemistry calls for greener ways to add bulky groups or assemble aldehyde functions. Catalysts—sometimes using enzymes or advanced transition metals—reduce harsh conditions and side products. These innovations mean safer labs and better results for both producers and end-users.
In the end, clear structure knowledge opens doors. Chemists spot opportunities for safer processing, researchers develop new aromas, and regulators depend on transparency to keep products safe for everyone.
Step into almost any department store’s fragrance section, and you’re surrounded by molecules designed to stir up memory and emotion. 3-(4-tert-butylphenyl)propionaldehyde, often known for sparking fresh, floral notes, helps craft many of those distinctive scents. Manufacturers reach for it to anchor and uplift a wide range of perfumes. Its gentle, persistent aroma supports both bold and subtle blends. As someone who’s spent time working in specialty retail, rows of testers gave me more than just headaches—they gave an inside look at how each bottle strives for a unique signature. Behind what the nose senses, there’s careful formulation. This compound contributes a soft, warm touch to fine fragrances while helping everyday products like soaps and shampoos linger with freshness long after you shower.
Outside perfume counters, this aldehyde finds its way into many items we stash in cabinets at home. Household cleaners, laundry detergents, and air fresheners draw on its scent-enhancing properties. Walk into a freshly cleaned room, and often what comes across as “clean” is, in fact, a carefully blended trace of molecules like this one. Beyond just pleasing the nose, including such compounds can mask less pleasant odors left behind from other cleaning agents or residual buildup. As a consumer, I’ve picked up on which detergents leave my clothes with a lasting—but not overpowering—freshness. Those staying powers often owe themselves to nuanced additions such as 3-(4-tert-butylphenyl)propionaldehyde.
Switching scenes to grooming, lotions, and personal hygiene, formulators look for ways to create gentle, skin-friendly products that still offer sensory appeal. This compound appears in scented creams, aftershaves, and even deodorants, delivering that all-important pleasant finish. Most of us want our skincare to work quietly in the background, without irritating or overpowering. Here, safety matters. Studies show formulations using this ingredient tend to perform well within regulatory safety limits, though people with sensitive skin may find occasional reactions. As expectations shift toward transparency, brands make an effort to list ingredients responsibly and educate users.
No ingredient jumps into a commercial product without questions. Recent years brought more scrutiny over allergens, environmental persistence, and sustainability. Regulators and industry players keep an eye on risk. Research digs into environmental fate and traces in wastewater, sparking calls for greener chemical design. Retail staff often field customer questions about formulations and sensitivities, which speaks to growing awareness and demand for safer, more responsible ingredients. This has encouraged companies to look into biosynthetic alternatives, sustainable sourcing, and clearer labeling, aiming for lower impact on health and ecosystems.
3-(4-tert-butylphenyl)propionaldehyde’s role in daily routines can feel invisible but important. Fragrance lifts mood and can even shape perceptions of cleanliness or care. Yet, it’s worth pushing companies toward thorough safety checks and open communication. From my experience on the retail floor and as a longtime user, people value clarity and honest answers, especially for something they’re putting on their skin or bringing into their homes. Efforts to balance olfactory pleasure with conscientious product design help keep both industry standards and consumer trust moving forward.
Ask anyone who’s spent a few years at a lab bench, and they’ll share stories about complex organic names. 3-(4-tert-butylphenyl)propionaldehyde is a prime example—its name tells a tale of structure, function, and good old-fashioned logic. Broadcast all the letters and numbers across the page, and it might look like gibberish. Once you break it down, though, the puzzle starts to make sense. The root, propionaldehyde, signals a three-carbon chain with an aldehyde at the end. Stuck on the third carbon is a bulky phenyl ring, itself decorated at the para position with a tert-butyl group. Understanding the name opens the door to mapping its atoms and finally piecing together the molecular formula.
Molecular formulas do more than just impress on paper. They guide researchers, allowing for tracking each atom’s journey in a reaction flask. With this compound, let’s count: the propionaldehyde brings three carbons, one oxygen, and several hydrogens. Hang a phenyl ring off the third carbon—that’s six more carbons and five hydrogens. Now, the tert-butyl side chain bolts onto that aromatic ring, adding four carbons and nine hydrogens at the para position. Connecting all these pieces, the formula becomes C13H18O.
Finding this formula matters in a real way. Drug developers need a crystal-clear structure before testing even the smallest new molecule. If someone miscounts atoms, years of research fall flat. An accurate formula tells chemists exactly what sits in their vial, helping them predict how a molecule will behave, how stable it is, and even how expensive it’ll be to make at scale. Reliable databases like PubChem and the Chemical Abstracts Service keep these details in check, helping the whole industry work from the same reference point.
All this information funnels into another vital piece: molecular weight. For C13H18O, the calculation stacks up like this: thirteen carbons clock in at 12.01 each, totaling 156.13 g/mol; eighteen hydrogens line up at 1.008 per atom, landing at 18.144 g/mol; oxygen weighs 16.00 g/mol. Add these together, and the molecular mass hits 190.25 g/mol. A number, sure, but it helps decide everything from dosing in medicine to how a compound gets separated from a chemical mixture.
Working in synthetic labs, I learned early that getting this number wrong leads to scale-up disasters. Imagine planning out a new fragrance component and accidentally ordering ten times more raw material than needed—simple mistakes in molecular weight lead to blown budgets and hazardous waste. The pharmaceutical world relies on accuracy, EU regulators demand it, and ethical chemists deliver it.
Chemistry education sometimes oversimplifies these calculations, treating them like simple math. The impact shows up in industry, where entry-level hires discover that real-world calculations involve unexpected hitches. Solvents, impurities, and inexact labeling muddy the process. Teams that value accuracy, double-check numbers, and use reputable sources like Sigma-Aldrich or IUPAC publications, avoid setbacks. Missteps mean more than just extra work; they raise costs and create avoidable hazards. I once spent hours trouble-shooting a routine synthesis—turns out a single incorrect formula printed on a vendor's bottle sent everything astray. It wasn’t just a headache; it slowed the whole project’s timeline.
So, clear formulas and molecular weights aren’t just about exam scores. They carry a project from design to delivery, shaping budgets, timelines, and safety. It's a reminder: every molecule matters, and accuracy is always worth the effort.
Anytime you open a drum or a bottle of industrial chemical, you take a calculated risk—sometimes small, sometimes bigger. Chemicals that look harmless on paper often surprise you, and 3-(4-tert-butylphenyl)propionaldehyde fits this pattern. People in labs and manufacturing don’t need another ghost story, but experience with aldehydes has taught me not to underestimate even obscure compounds. This one—3-(4-tert-butylphenyl)propionaldehyde—often shows up in the context of fragrance chemistry and specialty product manufacturing. Several details make it stand out, not least because of its structure: an aromatic ring, a bulky tert-butyl group, and an aldehyde moiety that reacts with air, moisture, and skin.
Aldehydes rarely play nice with human health. Take formaldehyde: well-documented irritant, allergen, and possible carcinogen. While 3-(4-tert-butylphenyl)propionaldehyde doesn’t grab headlines in toxicology journals, its chemical relatives demand respect. Dermal exposure regularly triggers irritation or allergic responses, sometimes more delayed than people expect. Eye contact feels worse. Vapors from this compound may irritate the nose and throat in closed spaces, especially if heated or spilled. That scent isn’t just a curiosity—it’s a hint from your nerves to keep away. The structural features promise reactivity with proteins in the skin and mucous membranes, so precautions aren’t an empty ritual.
Industry data and regulatory documentation dig deeper into toxicity endpoints. Material safety data sheets for this compound consistently flag it as harmful if swallowed, toxic if inhaled or absorbed through the skin, and irritating to eyes and respiratory passages. Data from the European Chemicals Agency puts it in the same basket as many fragrance aldehydes—possible skin sensitizer, confirmed irritant, not yet classed as carcinogenic but far from risk-free. The lack of extensive chronic studies doesn’t equal safety; absence of evidence isn’t evidence of absence.
I’ve spent time in labs where the day starts with PPE and labels keep you out of trouble. Gloves and goggles are the basics for aldehyde work, and a fume hood isn’t overkill. Smelling a whiff before getting everything capped means something’s going wrong with your ventilation. Disposal also matters. Rinsing something like this down the drain could spark trouble with city regulators and the local waterways. Waste should go in the proper organic hazardous waste containers—and staff should have real training, not just a five-minute onboarding video from HR.
Sensible measures save skin. If you’re working with 3-(4-tert-butylphenyl)propionaldehyde in any serious quantity, store it in clearly labeled, sealed containers—preferably in a flammable cabinet if large volumes are involved. Techs and chemists should get hands-on training for spill response, whether they’re in a university, startup, or factory. Spills call for absorbent materials that trap both liquid and vapor, not a frantic paper towel rush. If splashed, immediate rinsing and filing an incident report help catch sensitization early. Companies should review safety data sheets before each new project and update training (and equipment) as regulations evolve.
Some firms cut corners and pay the price with medical claims and regulatory fines later. As someone who’s seen the ugly side of chemical accidents, I’m convinced that respect for the hazards, even those with less publicity, keeps workers whole and businesses running. Those handling 3-(4-tert-butylphenyl)propionaldehyde do well to treat every substance with a reputation for reactivity as worthy of their best safety game.
Searching for 3-(4-tert-butylphenyl)propionaldehyde usually sends most researchers or procurement managers to chemical catalogues or straight to industrial suppliers. Most often, the reason for seeking this compound ties back to its roles in fragrance development, chemical synthesis, or pharmaceutical research. From personal experience working with specialty materials in a mid-sized lab, the search rarely follows a simple online order.
Unlike basic reagents, bulk quantities of specialty aldehydes appear infrequently in generic catalogues. Sigma-Aldrich, MolPort, Fisher Scientific, and TCI Chemicals stock small samples fit for research—milligram to gram scales. Anyone aiming higher must often shift tactics.
Bulk buying of 3-(4-tert-butylphenyl)propionaldehyde could involve contacting suppliers directly. Companies like Oakwood Chemical, ChemSpace, or Ambeed may offer higher volumes if asked. They rarely display “bulk” on their website, but that doesn't mean supply ends at catalog listings. From my time involved in project procurement, a detailed email outlining planned usage, purity requirements, and target volume opens more doors than website clicks alone.
Trusting a supplier calls for careful review. A chemical company’s certifications and track record offer more confidence than the slickest product page. The chemical market sometimes attracts cut corners and dubious resellers, so sticking with REACH, ISO-certified, or long-standing providers matters. Google has focused on experience and authority for organic results, which I’ve found useful in vetting businesses before sharing financial data or large orders.
Regulations complicate sourcing. Some intermediates, especially with aromatic structures or aldehyde groups, fall under tighter import and export controls. Customs red tape or suspicious origin can delay or block shipments. More than once, our team faced deadlines stretched by cargo reviews and requests for end-use declarations.
In addition, transport of aldehydes—especially in higher amounts—raises shipping, insurance, and storage requirements. I always recommend clarifying the exact shipping process with the supplier and ensuring ease of communication to avoid delays or compliance issues.
Chemicals like 3-(4-tert-butylphenyl)propionaldehyde support innovation, yet their procurement teaches lessons about collaboration. It rarely helps to treat overseas suppliers as faceless order fillers. Regular phone calls, transparency about intentions, and patience create better outcomes. I’ve watched companies avoid contract troubles by insisting on certificates of analysis and using escrow or procurement agencies to shield transactions.
Some industry hubs, like the Chemical Watch global buyer’s guide, recommend pre-vetted suppliers with proven export experience. Even so, expecting fast delivery in bulk sets everyone up for disappointment. Many suppliers custom-make batches once orders clear, and clear communication saves projects from frustrating delays.
Bigger purchases of a niche chemical like 3-(4-tert-butylphenyl)propionaldehyde call for active research and hands-on negotiation. Reading up on suppliers, checking certifications, and keeping a personal line of communication prevents mistakes that cost time and money. Direct experience has taught me it pays to treat procurement as a partnership, not a transaction. Most of all, set timelines that allow for regulatory checks, and keep documents organized to keep projects on track.
| Names | |
| Preferred IUPAC name | 3-[4-(2-Methylpropan-2-yl)phenyl]propanal |
| Other names |
4-tert-Butylhydrocinnamaldehyde
p-t-Butylhydrocinnamic aldehyde 4-tert-Butylphenylpropionaldehyde 3-(4-tert-Butylphenyl)propionaldehyde |
| Pronunciation | /θri bʌt-ɜːl fiː.nɪl proʊˌpaɪ.əˈnal.dɪˌhaɪd/ |
| Identifiers | |
| CAS Number | 1077-12-7 |
| Beilstein Reference | 136873-81-7 |
| ChEBI | CHEBI:78165 |
| ChEMBL | CHEMBL4166848 |
| ChemSpider | 64253 |
| DrugBank | DB07807 |
| ECHA InfoCard | 03e84ed3-ea07-4df3-b1de-4f085b5c89e3 |
| EC Number | 203-666-7 |
| Gmelin Reference | 943309 |
| KEGG | C19316 |
| MeSH | D000701 |
| PubChem CID | 3252472 |
| RTECS number | UF4375000 |
| UNII | Y16F8P540L |
| UN number | UN3271 |
| Properties | |
| Chemical formula | C13H18O |
| Molar mass | 178.27 g/mol |
| Appearance | White to light yellow crystalline powder |
| Odor | aromatic, green, citrus, herbal |
| Density | 1.009 g/mL at 25 °C |
| Solubility in water | Insoluble |
| log P | 2.9 |
| Vapor pressure | 0.02 mmHg (25 °C) |
| Acidity (pKa) | 13.54 |
| Magnetic susceptibility (χ) | -73.94×10⁻⁶ cm³/mol |
| Refractive index (nD) | 1.531 |
| Viscosity | Viscous liquid |
| Dipole moment | 2.7851 D |
| Thermochemistry | |
| Std molar entropy (S⦵298) | 395.2 J·mol⁻¹·K⁻¹ |
| Std enthalpy of formation (ΔfH⦵298) | -86.2 kJ/mol |
| Std enthalpy of combustion (ΔcH⦵298) | -6186.7 kJ/mol |
| Hazards | |
| Main hazards | Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. |
| GHS labelling | GHS07, GHS08 |
| Pictograms | GHS07 |
| Signal word | Warning |
| Hazard statements | H315, H319, H317 |
| Precautionary statements | P261, P264, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, P501 |
| Flash point | > 113 °C |
| Lethal dose or concentration | LD50 oral rat 1850 mg/kg |
| LD50 (median dose) | LD50 (median dose) = 1600 mg/kg (oral, rat) |
| NIOSH | NV3345000 |
| PEL (Permissible) | Not established |
| REL (Recommended) | 5 mg/m³ |
