HEXYL 3-PHENYLPROP-2-ENAL
Hexyl 3-phenylprop-2-enal is a transparent, pale-yellow liquid with a distinctive floral aroma resembling jasmine, widely used in perfumes, lotions, shampoos, and household products.
Hexyl 3-phenylprop-2-enal's chemical stability ensures it retains its fragrance over time, even when exposed to light or air, making it ideal for long-lasting formulas in personal care and household products.
Though commonly synthesized industrially, Hexyl 3-phenylprop-2-enal is also found naturally in chamomile essential oil and blends well with other fragrances to enhance scent complexity.
CAS Number: 101-86-0
EC Number: 202-983-3
Chemical Formula: C15H20O
Molecular Weight: 216.32
Synonyms: alpha-Hexylcinnamaldehyde, Hexyl cinnamic aldehyde, 101-86-0, Hexylcinnamaldehyde, (2E)-2-benzylideneoctanal, 2-Benzylideneoctanal, 165184-98-5, (E)-2-benzylideneoctanal, alpha-Hexylcinnamic aldehyde, 2-(Phenylmethylidene)octanal, alpha-n-hexylcinnamaldehyde, (2E)-2-(phenylmethylidene)octanal, 2-Hexyl-3-phenyl-2-propenal, alpha-Hexylcinnamyl aldehyde, Octanal, 2-(phenylmethylene)-, alpha-Hexyl-beta-phenylacrolein, CHEBI:55365, alpha-n-Hexyl-beta-phenylacrolein, 2-Hexenyl cynnamaldehyde, 2-(Phenylmethylene)octanal, alpha-hexylcinnamaldehyde, 2-Hexylcinnamaldehyde, Hexylcinnamal, 2-[(E)-benzylidene]octanal, E9947QRR9O, .alpha.-Hexylcinnamaldehyde, WLN: VHY6 & U1R, Hexyl cinnamic aldehyde (VAN), Hexyl cinnamal, n-Hexyl cinnamal, alpha-Hexyl cinnamal, 2-Hexyl-3-phenyl-propenal, .alpha.-Hexylcinnamic aldehyde, UNII-E9947QRR9O, Hexylzimtaldehyd, .alpha.-n-Hexyl-.beta.-phenylacrolein, alpha-Hexylcinnamaldehyde, (2E)-, alpha-hexylcinna-maldehyde, alfa-Hexyl Cinnam Aldehyde, Epitope ID:117426, EC 639-566-4, a-Hexylcinnamaldehyde, 8CI, 2-(phenylmethylene)-octanal, alpha-hexylcinnamic aldehyde, MLS002174256, Cinnamaldehyde, alpha-hexyl-, SCHEMBL113170, Hexyl Cinnamic Aldehyde Natural, CHEMBL1449245, FEMA 2569, (2E)-alpha-n-hexylcinnamaldehyde, 2-(Phenylmethylene)octanal, 9CI, DTXSID401020801, HMS3039O14, 2-HEXYL-(E)-CINNAMALDEHYDE, NSC46150, ZINC4705576, alpha-N-hexyl-beta-phenylacrolein, BBL027629, MFCD00006989, NSC-46150, NSC406799, STK709222, (2Z)-2-Hexyl-3-phenyl-2-propenal, AKOS015839664, CS-W014834, HY-W014118, NSC-406799, NCGC00090930-01, NCGC00090930-02, alpha-N-hexyl-alpha-hexylcinnamaldehyde, LS-14416, Octanal, 2-(phenylmethylene)-, (2E)-, SMR001261427, VS-08571, EN300-18426,
Hexyl 3-phenylprop-2-enal is a synthetic fragrance ingredient commonly used in cosmetics, perfumes, and personal care products.
This aromatic compound is characterized by a sweet, floral scent reminiscent of jasmine, making it a popular choice for enhancing product fragrances.
Derived from cinnamaldehyde, Hexyl 3-phenylprop-2-enal is typically produced synthetically, though it can also be found in certain natural essential oils.
Hexyl 3-phenylprop-2-enal is valued for its stability and ability to blend well with other fragrance components.
Despite Hexyl 3-phenylprop-2-enal's widespread use, it is important to note that this compound can cause allergic reactions in sensitive individuals, and its inclusion in products is often regulated to ensure safe usage levels.
As a versatile and widely recognized ingredient, Hexyl 3-phenylprop-2-enal contributes to the sensory appeal of countless consumer goods, enriching the user experience through its pleasant and enduring aroma.
Hexyl 3-phenylprop-2-enal is easy to underestimate because the fragrance only comes into its own in combination with other fragrances.
Hexyl 3-phenylprop-2-enal is primarily a base note in perfumes and is stable in most products, including soap.
Keep cool, dry, dark and out of reach of children.
Hexyl 3-phenylprop-2-enal is a pale yellow to yellow liquid at room temperature.
A better name might be alpha-Hexyl 3-phenylprop-2-enal, but since other variants are not used as fragrance, we leave that alpha out.
The purity is at least 96%.
Hexyl 3-phenylprop-2-enal has a fairly long shelf life.
Hexyl 3-phenylprop-2-enal occurs in nature, but the synthetic version is used for use as a fragrance.
Hexyl 3-phenylprop-2-enal and p-tert-butyl-alpha-methylhydrocinnamic aldehyde are synthetic aldehydes, characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products, and as flavouring additives in food and pharmaceutical industry.
Hexyl 3-phenylprop-2-enal is a weak allergen.
Hexyl 3-phenylprop-2-enal, colloquially “Hexyl 3-phenylprop-2-enal” and formally 2-(phenylmethylene)octanal, is a fragrance ingredient used in perfumes and personal-care products.
By itself, Hexyl 3-phenylprop-2-enal has a jasmine-like odor.
Hexyl 3-phenylprop-2-enal occurs naturally in chamomile oil, but almost all of the commercial product is synthesized via a reaction between octanal and benzaldehyde.
An antioxidant such as 2,6-di-tert-butyl-4-methoxyphenol (“butylated hydroxyanisole”) is usually added as a preservative.
Hexyl 3-phenylprop-2-enal is found naturally in the essential oil of chamomile.
Hexyl 3-phenylprop-2-enal is a member of the class of cinnamaldehydes carrying a hexyl substituent.
Hexyl 3-phenylprop-2-enal industrially produced via a crossed-aldol condensation reaction between octanal and benzaldehyde.
Hexyl 3-phenylprop-2-enal is an aromatic chemical usually appearing as a pale yellow liquid with a sweet jasmine scent.
Though synthesized for industry, Hexyl 3-phenylprop-2-enal is present naturally in chamomile (Chamaemelum nobile) essential oil.
Hexyl 3-phenylprop-2-enal is frequently used for its rich floral notes in the composition of fragrances for perfumery, personal care products and soaps.
Hexyl 3-phenylprop-2-enal is considered a low hazard when used at low concentrations.
Hexyl 3-phenylprop-2-enal is defined as a possible allergen by the EU Cosmetics Regulation, meaning a small percentage of people may be sensitive to this ingredient.
Hexyl 3-phenylprop-2-enal is used in fragrances for its floral scent.
While, today, manufacturers make it in a lab, alpha-hexylcinnamaldehyde is also found naturally in the essential oil of chamomile.
Hexyl 3-phenylprop-2-enal is a pale yellow to yellow clear liquid to solid, which is nearly insoluble in water but soluble in oils.
Hexyl 3-phenylprop-2-enal is a common additive in perfume and cosmetic industry as aroma substance.
Hexyl 3-phenylprop-2-enal is found naturally in the essential oil of chamomile.
Many sites conflate amyl cinnamal, Hexyl 3-phenylprop-2-enal and cinnamaldehyde (cinnamal/cinnamic aldehyde).
Hexyl 3-phenylprop-2-enal is not the same as amyl cinnamal, Hexyl 3-phenylprop-2-enal has 6 carbons in the hydrocarbon chain whereas amyl cinnamal only has 5 carbons. The hydrocarbon chain in amyl cinnamal and Hexyl 3-phenylprop-2-enal appears to lower the reactivity of the aldehyde group.
Hexyl 3-phenylprop-2-enal is an aromatic compound found naturally predominantly in chamomile.
However, Hexyl 3-phenylprop-2-enal can also be synthesized.
Hexyl 3-phenylprop-2-enal occurs as a yellowish aromatic liquid to solid with a characteristic odor.
Hexyl 3-phenylprop-2-enal, chemically known as 2-(Phenylmethylene)octanal, is a transparent, pale-yellow liquid with a distinctive floral aroma that is widely appreciated in the fragrance industry.
Hexyl 3-phenylprop-2-enal is predominantly used to impart a sweet, subtle, and luxurious scent, often resembling the fragrance of jasmine or other white flowers.
This synthetic aromatic aldehyde is frequently incorporated into a variety of consumer products, including perfumes, lotions, shampoos, soaps, and other personal care items, as well as household goods like detergents and air fresheners.
In addition to its aromatic properties, Hexyl 3-phenylprop-2-enal offers excellent blending capabilities, allowing it to harmonize effectively with both natural and synthetic fragrances, thereby enhancing the overall complexity and appeal of scent profiles.
Hexyl 3-phenylprop-2-enal's chemical stability ensures that it retains its fragrance over time, even when exposed to light or air, making it a preferred choice for long-lasting formulas.
From a regulatory standpoint, Hexyl 3-phenylprop-2-enal is classified as a potential allergen, and its use is monitored in accordance with safety standards established by organizations like the International Fragrance Association (IFRA) and the European Union.
Products containing Hexyl 3-phenylprop-2-enal must disclose its presence on ingredient labels to inform consumers, particularly those with sensitive skin or fragrance allergies.
Beyond its widespread utility, Hexyl 3-phenylprop-2-enal represents the innovative blending of science and artistry in perfumery and cosmetic formulation.
Hexyl 3-phenylprop-2-enal not only enhances the sensory quality of products but also contributes to creating memorable, emotionally resonant consumer experiences through its captivating fragrance.
Uses of Hexyl 3-Phenylprop-2-Enal:
For the preparation of honey and fruit-type flavors and mixed spices.
Hexyl 3-phenylprop-2-enal is used in soap and detergent.
Extraction solvents, mainly used in soybeans, rice bran, cottonseed and other edible oils and spices, such as oil resin extraction.
Hexyl 3-phenylprop-2-enal is used as intermediate of essence and fragrance, especially widely used in the essence of shampoo and hair care products.
Hexyl 3-phenylprop-2-enal is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products.
Hexyl 3-phenylprop-2-enal has been also used as flavouring additive in food and pharmaceutical industry.
Solubilization of Hexyl 3-phenylprop-2-enal by the ionic surfactants, sodium dodecyl sulfate and dodecyltrimethylammonium chloride and a non-ionic surfactant such as dodecyl polyoxyethylene ethers has been investigated.
Hexyl 3-phenylprop-2-enal is a widely used fragrance chemical, the low skin-sensitizing potency of which has made it a common choice for the use as a positive control for predictive toxicology assays.
However, the human data are relatively sparse, consistent with Hexyl 3-phenylprop-2-enal possessing a low capacity to induce skin sensitization under conditions of consumer exposures.
Hexyl 3-phenylprop-2-enal is a chemical compound that belongs to the group of esters.
Hexyl 3-phenylprop-2-enal has been shown to be an effective biocide in vitro, with a response element of nitrogen atoms.
Hexyl 3-phenylprop-2-enal has a phase transition temperature of -44 degrees Celsius and can exist as both solid and liquid phases.
Hexyl 3-phenylprop-2-enal can be used for microextraction from biological samples, such as urine or blood, in combination with microcapsules.
Hexyl 3-phenylprop-2-enal has also been shown to have low potency against bacteria and fungi, but it is not toxic to mammals.
Hexyl 3-phenylprop-2-enal can mix well with natural floral fragrances and gives a more natural and uniform fragrance.
Hexyl 3-phenylprop-2-enal can also be used in perfumes, skin creams, and foundations.
Hexyl 3-phenylprop-2-enal is a yellow liquid with a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasmine note.
Similarly to the amyl homolog, Hexyl 3-phenylprop-2-enal must be protected against oxidation by the addition of stabilizers.
Hexyl 3-phenylprop-2-enal is prepared in a manner similar to that of alpha-amylcinnamaldehyde by alkaline condensation of excess benzaldehyde with octanal (instead of heptanal).
Hexyl 3-phenylprop-2-enal is widely used in flower compositions (e.g., jasmine and gardenia) and, because of its stability to alkali, in soap perfumes.
Pale-yellow liquid; jasminelike odor, particularly on dilution.
Soluble in most fixed oils and in mineral oil; insoluble in glycerol and in propylene glycol.
Hexyl 3-phenylprop-2-enal is a fragrance that provides a floral, jasmine-like scent.
Hexyl 3-phenylprop-2-enal is a common additive in the perfume and cosmetic industry as aroma substance.
Hexyl 3-phenylprop-2-enal is found naturally in the essential oil of chamomile.
Hexyl 3-phenylprop-2-enal is a pale yellow to yellow liquid to solid, which is nearly insoluble in water but soluble in oils.
The commercial material often contains low levels of 2,6-di-tert-butyl-4-methoxyphenol as a stabilizer.
Hexyl 3-phenylprop-2-enal has a broad range of applications due to its pleasant floral aroma and ability to blend seamlessly with other fragrance ingredients.
Here are Hexyl 3-Phenylprop-2-Enal's primary uses:
Perfumery:
Hexyl 3-phenylprop-2-enal is widely used as a key component in perfumes to impart a sweet, jasmine-like scent.
Enhances the complexity and longevity of fragrance blends.
Cosmetics and Personal Care Products:
Found in lotions, creams, shampoos, conditioners, soaps, and body washes to add a luxurious floral fragrance.
Improves the sensory appeal of skin and hair care products.
Household Products:
Commonly included in detergents, fabric softeners, and cleaning products to mask chemical odors and provide a fresh, pleasant scent.
Hexyl 3-phenylprop-2-enal is used in air fresheners and room sprays to create a calming and aromatic environment.
Candles and Scented Products:
Incorporated in candles, potpourri, and other home fragrance items to deliver a consistent and long-lasting aroma.
Industrial Applications:
Hexyl 3-phenylprop-2-enal is used in the formulation of fragranced industrial products, such as surface cleaners, to enhance user experience.
Flavor Industry (Limited Use):
Occasionally used in trace amounts as a flavor enhancer in food and beverages, though Hexyl 3-phenylprop-2-enal's primary role remains in fragrances.
Benefits of Hexyl 3-Phenylprop-2-Enal:
Enhanced Fragrance Appeal:
Adds a sweet, floral, jasmine-like aroma to perfumes, cosmetics, and household products, improving their sensory experience.
Versatility:
Compatible with both natural and synthetic fragrances, allowing it to blend seamlessly in diverse formulations.
Suitable for a wide range of applications, including personal care, home care, and industrial products.
Stability:
Exhibits excellent chemical stability, ensuring a long-lasting fragrance even when exposed to light, air, or storage over time.
Cost-Effectiveness:
Synthesized efficiently on an industrial scale, making it a reliable and economical option for manufacturers.
Regulatory Compliance:
Widely studied and regulated, with clear guidelines for safe use, which ensures consumer trust and product safety.
Enhanced Consumer Experience:
Provides a luxurious and calming scent that enhances the perceived quality of products, making them more appealing.
Customizable Usage:
Hexyl 3-phenylprop-2-enal can be adjusted in concentration to achieve subtle or bold fragrance effects, tailored to product requirements.
Production of Hexyl 3-Phenylprop-2-Enal:
The production of Hexyl 3-phenylprop-2-enal primarily involves the synthetic process of Knoevenagel condensation, where hexanal and benzaldehyde react in the presence of a base catalyst such as sodium hydroxide or potassium carbonate.
The reaction is typically conducted in a solvent like ethanol under controlled temperatures to maximize yield and prevent side reactions.
After the reaction, the crude product is isolated through phase separation and purified via vacuum distillation to achieve high purity levels suitable for fragrance applications.
Final refinement steps, such as recrystallization, ensure cosmetic-grade quality.
The finished product is then packaged in airtight containers to preserve its stability and distributed for use in cosmetics, perfumes, and household goods.
To meet sustainability goals, some manufacturers are adopting greener production methods and effective waste management practices.
Synthesis of Hexyl 3-Phenylprop-2-Enal:
Hexyl 3-phenylprop-2-enal (2-(Phenylmethylene)octanal) is typically synthesized via chemical processes.
The most common method involves the reaction between hexanal and benzaldehyde through a Knoevenagel condensation reaction.
Below is an overview of the synthesis process:
Chemical Reaction:
Reaction Equation:
Hexanal + Benzaldehyde → Hexyl Cinnamal (C15H20O)
Steps in the Reaction:
Preparation of Reagents:
Hexanal (C6H120O): A saturated aldehyde with six carbon atoms.
Benzaldehyde (C7H6O): An aromatic aldehyde with a benzene ring.
Catalysis:
A base catalyst, such as sodium hydroxide (NaOH) or potassium carbonate (K2CO3), is used to facilitate the condensation reaction.
Alternatively, organic bases like piperidine or pyridine can also be employed.
Reaction Process:
Under controlled temperatures, hexanal reacts with benzaldehyde in the presence of the base catalyst.
The base deprotonates hexanal to form an enolate intermediate.
The enolate attacks benzaldehyde, resulting in the formation of Hexyl 3-phenylprop-2-enal as the final product.
Purification:
After the reaction, the crude product is purified to achieve high purity levels:
Distillation:
Separates Hexyl 3-phenylprop-2-enal from byproducts and unreacted reagents.
Recrystallization or Chromatography:
Ensures removal of any impurities for cosmetic-grade or fragrance-grade applications.
Industrial Production Notes:
The reaction is scalable for large-scale industrial production.
Solvents like ethanol, methanol, or toluene are often used to dissolve reactants and improve reaction efficiency.
The process is optimized for high yields and cost-effectiveness to meet demand in fragrance and cosmetic industries.
Natural Sources (Alternative):
While synthetic production is the most common, Hexyl 3-phenylprop-2-enal is also present in trace amounts in certain natural essential oils (e.g., chamomile or cinnamon oil).
However, natural extraction is less economical for commercial purposes.
This efficient synthesis process ensures a consistent and reliable supply of Hexyl 3-phenylprop-2-enal for widespread use in fragrances and personal care products.
Occurrence of Hexyl 3-Phenylprop-2-Enal:
Hexyl 3-phenylprop-2-enal is primarily a synthetic compound, but it also occurs naturally in trace amounts in certain essential oils.
Hexyl 3-phenylprop-2-enal's natural presence is found in plants known for their aromatic properties, such as chamomile and cinnamon.
In these plants, Hexyl 3-phenylprop-2-enal contributes to their characteristic floral or sweet scents, though it is present in very low concentrations, making natural extraction impractical for commercial purposes.
In contrast, the synthetic form of Hexyl 3-phenylprop-2-enal is widely produced in laboratories and industrial settings to meet the high demand for fragrances and scented products.
The synthetic process ensures consistent quality, stability, and scalability, which are essential for its use in perfumes, cosmetics, and household goods.
This ability to mimic and enhance natural aromas has made Hexyl 3-phenylprop-2-enal a staple in modern fragrance formulations, bridging the gap between nature and chemistry in the fragrance industry.
History of Hexyl 3-Phenylprop-2-Enal:
Hexyl 3-phenylprop-2-enal, emerged as a key ingredient in the fragrance industry during the 20th century, a period marked by rapid advancements in synthetic chemistry.
Hexyl 3-phenylprop-2-enal's development was part of a broader effort to create stable, cost-effective aromatic compounds that could mimic the natural scents of flowers and plants, which were often expensive or difficult to source.
Inspired by the sweet and floral fragrance of jasmine, chemists synthesized Hexyl 3-phenylprop-2-enal to replicate its aromatic profile while ensuring scalability and affordability.
The compound quickly gained popularity for its versatility and pleasant scent, becoming a cornerstone ingredient in perfumes and personal care products.
Early formulations of Hexyl 3-phenylprop-2-enal were predominantly used in high-end fragrances, but as production methods improved, it became accessible for mass-market applications, including soaps, shampoos, and detergents.
Hexyl 3-phenylprop-2-enal's ability to blend seamlessly with other fragrance components further enhanced its utility, allowing perfumers to create complex and appealing scent profiles.
By the mid-20th century, the fragrance industry saw increased regulation and scientific scrutiny of synthetic ingredients.
Hexyl 3-phenylprop-2-enal underwent rigorous testing for safety, particularly as allergic reactions to fragrance components became a concern.
Regulatory bodies, such as the International Fragrance Association (IFRA), established guidelines for its use, requiring transparent labeling in cosmetic and personal care products.
These measures ensured that Hexyl 3-phenylprop-2-enal could continue to be widely used while maintaining consumer safety.
Today, Hexyl 3-phenylprop-2-enal remains a prominent ingredient in the fragrance and personal care industries.
Hexyl 3-phenylprop-2-enal represents the intersection of science, creativity, and industrial innovation, reflecting the evolution of synthetic chemistry from its origins to its role in modern consumer goods.
As sustainability becomes a growing concern, research into greener production methods for Hexyl 3-phenylprop-2-enal continues, ensuring its relevance in an environmentally conscious marketplace.
Handling and Storage of Hexyl 3-Phenylprop-2-Enal:
Handling:
Precautions:
Handle with care to prevent spills, skin contact, and inhalation of vapors.
Use in well-ventilated areas to avoid exposure to high concentrations of vapors.
Personal Protective Equipment (PPE):
Wear appropriate gloves (e.g., nitrile or neoprene), protective eyewear, and a lab coat or apron to prevent skin and eye contact.
If handling large quantities, wear a respirator.
Safe Practices:
Avoid inhaling vapors directly and ensure good ventilation.
Do not eat, drink, or smoke while handling Hexyl 3-phenylprop-2-enal.
Avoid contact with open flames, sparks, and sources of heat.
Storage:
Conditions:
Store in a cool, dry, and well-ventilated area.
Keep away from direct sunlight, heat, and sources of ignition.
Containers:
Use tightly sealed containers to prevent contamination and evaporation.
Temperature Range:
Store at temperatures between 15°C and 25°C.
Avoid temperatures exceeding 40°C.
Incompatibilities:
Avoid storing near strong oxidizing agents or acids.
Stability and Reactivity of Hexyl 3-Phenylprop-2-Enal:
Stability:
Chemical Stability:
Hexyl 3-phenylprop-2-enal is generally stable under normal conditions of use and storage.
Conditions to Avoid:
Excessive heat, direct sunlight, and strong oxidizing agents may degrade the compound over time.
Hazardous Decomposition Products:
When exposed to high heat, Hexyl 3-phenylprop-2-enal may release toxic fumes such as carbon monoxide, carbon dioxide, and other unidentified organic compounds.
Reactivity:
Incompatibilities:
Avoid contact with strong oxidizers (e.g., peroxides) and acids.
Hazardous Reactions:
Reacts with strong oxidizers, acids, and bases.
Can form hazardous substances under extreme conditions.
Polymerization:
Does not undergo dangerous polymerization reactions.
First Aid Measures of Hexyl 3-Phenylprop-2-Enal:
In case of exposure, seek immediate medical attention if symptoms persist.
Inhalation:
May cause respiratory irritation, dizziness, or headaches.
Move to fresh air immediately.
If symptoms persist, seek medical advice.
Skin Contact:
May cause mild irritation or allergic reactions in sensitive individuals.
Wash the affected area thoroughly with soap and water.
Remove contaminated clothing.
If irritation or a rash develops, seek medical attention.
Eye Contact:
May cause mild irritation or redness.
Rinse eyes immediately with plenty of water for at least 15 minutes.
Remove contact lenses if present.
Seek medical attention if irritation persists.
Ingestion:
May cause nausea, vomiting, or digestive upset.
Do not induce vomiting.
Rinse mouth with water.
Seek medical attention immediately.
Firefighting Measures of Hexyl 3-Phenylprop-2-Enal:
Extinguishing Media:
Suitable:
Use foam, dry chemical, carbon dioxide (CO₂), or water spray to extinguish fires involving Hexyl 3-phenylprop-2-enal.
Unsuitable:
Do not use direct water jet, as Hexyl 3-phenylprop-2-enal can spread the fire.
Firefighting Instructions:
Firefighters should wear self-contained breathing apparatus (SCBA) and protective gear to prevent inhalation of toxic fumes.
Use water spray to cool exposed containers and prevent the spread of fire.
In the event of a fire, avoid inhaling fumes.
Evacuate non-essential personnel from the area.
Hazardous Combustion Products:
Carbon monoxide (CO), carbon dioxide (CO₂), and other unidentified toxic organic compounds.
Accidental Release Measures of Hexyl 3-Phenylprop-2-Enal:
Personal Precautions:
Protective Equipment:
Wear appropriate PPE such as gloves, safety goggles, and a respirator, if necessary.
Spill Containment:
Ensure good ventilation.
Evacuate the area if necessary.
Do not allow the spill to enter drains, watercourses, or the environment.
Spill Cleanup:
Small Spills:
Absorb with inert materials like sand, vermiculite, or earth.
Clean up with appropriate solvents, and place materials in sealed containers for disposal.
Large Spills:
For significant spills, stop the source if safe to do so, and contain the spill using booms or dikes.
Dispose of the material as per local environmental regulations.
Environmental Precautions:
Avoid contamination of water systems, soil, or sewer systems.
Ensure that containment methods are in place to minimize environmental impact.
Exposure Controls / Personal Protective Measures of Hexyl 3-Phenylprop-2-Enal:
Occupational Exposure Limits:
Currently, there are no specific exposure limits set for Hexyl 3-phenylprop-2-enal.
However, exposure should be minimized to reduce the risk of sensitization and irritation.
Engineering Controls:
Use in a well-ventilated area or under a fume hood to avoid inhalation of vapors.
If working with large quantities, consider using a local exhaust ventilation system.
Personal Protective Equipment (PPE):
Respiratory Protection:
If ventilation is insufficient, wear a suitable respirator with a vapor cartridge.
Hand Protection:
Wear chemical-resistant gloves (e.g., nitrile or neoprene) to avoid skin contact.
Eye Protection:
Wear safety goggles or face shields to prevent eye irritation.
Skin Protection:
Wear protective clothing such as a lab coat or apron to avoid skin contact.
Hygiene Measures:
Wash hands thoroughly after handling Hexyl 3-phenylprop-2-enal.
Avoid eating, drinking, or smoking in areas where Hexyl 3-phenylprop-2-enal is used.
Identifiers of Hexyl 3-Phenylprop-2-Enal:
IUPAC Name: 2-(Phenylmethylene)octanal
Chemical Formula: C15H20O
CAS Number: 101-86-0
EC Number: 202-983-3
SMILES: CCCCCC(=O)C=CC1=CC=CC=C1
InChI: InChI=1S/C15H20O/c1-2-3-4-5-6-12-15(16)14-13-10-8-7-9-11-14/h7-11,13H,2-6,12H2,1H3
CAS Number: 101-86-0
ChEBI: CHEBI:55365
ChemSpider: 1267362
ECHA InfoCard: 100.002.713
PubChem CID: 1550884
UNII: 7X6O37OK2I
CompTox Dashboard (EPA): DTXSID4026684
InChI: InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
Key: GUUHFMWKWLOQMM-NTCAYCPXSA-N
InChI=1/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
Key: GUUHFMWKWLOQMM-NTCAYCPXBH
SMILES: O=C\C(=C\c1ccccc1)CCCCCC
Properties of Hexyl 3-Phenylprop-2-Enal:
Appearance: Transparent, pale yellow to light amber liquid.
Molecular Weight: 220.32 g/mol
Density: 1.02 g/cm³ at 25°C
Boiling Point: 270°C (at 760 mmHg)
Melting Point: Around -11°C
Refractive Index: Typically around 1.520 at 20°C
Flash Point: 93°C
Molecular Weight: 216.32
Density: 0.95 g/mL
Boiling point: 308 °C
Solubility in water: 2.75 mg/L
XLogP3-AA: 4.8
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 7
Exact Mass: 216.151415257
Monoisotopic Mass: 216.151415257
Topological Polar Surface Area: 17.1 Ų
Heavy Atom Count: 16
Complexity: 212
Defined Bond Stereocenter Count: 1
Covalently-Bonded Unit Count: 1
Molecular Weight: 220.32 g/mol
Melting Point: Around -11°C (Varies slightly depending on purity)
Boiling Point: 270°C (at 760 mmHg)
Density: 1.02 g/cm³ at 25°C
Flash Point: 93°C
Chemical formula: C15H20O
Molar mass: 216.324 g·mol−1
Density: 0.95 g/mL
Boiling point: 308 °C (586 °F; 581 K)
Solubility in water: 2.75 mg/L
Specifications of Hexyl 3-Phenylprop-2-Enal:
Hexyl 3-phenylprop-2-enal content: ≥ 95%
Acidity (as acetic acid): ≤ 0.1%
Ash content: ≤ 0.1%
Water content: ≤ 0.5%
Related compounds of Hexyl 3-Phenylprop-2-Enal:
Related alkyl aldehydes: Isobutyraldehyde
Lilial
2-Methylundecanal
Names of Hexyl 3-Phenylprop-2-Enal:
Regulatory process names:
2-(Phenylmethylene)octanal
2-Benzylideneoctanal
2-Hexyl-3-phenyl-2-propenal
2-Hexylcinnamaldehyde
a-hexylcinnamaldehyde
alpha-Hexyl-beta-phenylacrolein
alpha-Hexylcinnamaldehyde
alpha-Hexylcinnamic aldehyde
alpha-Hexylcinnamyl aldehyde
alpha-n-Hexyl-beta-phenylacrolein
Cinnamaldehyde, alpha-hexyl-
Hexyl cinnamaldehyde
Hexyl cinnamic aldehyde
Hexyl cinnamic aldehyde (VAN)
Octanal, 2-(phenylmethylene)-
α-hexylcinnamaldehyde
α-hexylcinnamaldehyde
IUPAC names:
(2E)-2-(phenylmethylidene)octanal
(2E)-2-(phenylmethylidene)octanal(2E)-2-Benzylideneoctanal(2Z)-2-(phenylmethylidene)octanal(E)-2-benzylideneoctanal
(2E)-2-Benzylideneoctanal
(2E)-2-benzylideneoctanal
(2Z)-2-(phenylmethylidene)octanal
(E)-2-benzylideneoctanal
2 - ( phenylmethylidene ) octanal
2-(phenylmethylidene) octanal
2-(Phenylmethylidene)octanal
2-(phenylmethylidene)octanal
2-Benzylideneoctanal
2-benzylideneoctanal
2-Hexyl-3-phenyl-2-propenal
2-HEXYL-3-PHENYL-2-PROPENAL (TRANS & CIS)
2-Phenylmethyleneoctanal; alpha-Hexylcinnamaldehyde; 2-Benzylideneoctanal; alpha-n-hexyl-beta-phenylacrolein
a-Hexylzimtaldehyd
Alpha Hexylcinnamaldehyde
alpha-Hexylcinnamaldehyde
alpha-hexylcinnamaldehyde
Fragrance oil
Hexyl cinnamaldehyde
Hexyl cinnamic aldehyde
hexyl cinnamic aldehyde
HEXYL CINNAMIC ALDEYDE
HEXYLCINNAMIC ALDEHYDE
Octanal, 2-(phenylmethylene)
Octanal, 2-(Phenylmethylene)-
Octanal, 2-(phenylmethylene)-
octanal, 2-(phenylmethylene)-
α-esilcinnamaldeide
α-hexylcinnamaldehyde
Trade name:
Aldehyde hexylcinnamique
Other identifier:
101-86-0
