LILIAL

Lilial is an aromatic aldehyde recognized for its powerful floral, muguet, green, and lily-of-the-valley odor profile.
It was historically used to add diffusion, body, and persistence to perfumes and fragranced consumer products.
Its reproductive-toxicity classification and resulting regulatory restrictions now make intended application, destination market, and compliance documentation essential procurement considerations.

CHEMICAL IDENTITY AND COMMON NAMES

Lilial is the common name for Butylphenyl Methylpropional, a branched hydrocinnamaldehyde containing one stereogenic center.
Commercial CAS 80-54-6 material is generally supplied as a racemic mixture of its two enantiomers.
Lilial must not be confused with m-BMHCA, p-tert-butyldihydrocinnamaldehyde, hydroxycitronellal, cyclamen aldehyde, or other muguet odorants with different identities and regulatory profiles.

Synonyms and Common Names: Lilial, Butylphenyl Methylpropional, BMHCA, p-BMHCA, 3-(4-tert-Butylphenyl)-2-methylpropanal, 2-(4-tert-Butylbenzyl)propionaldehyde, 2-[(4-tert-Butylphenyl)methyl]propanal, p-tert-Butyl-alpha-methylhydrocinnamaldehyde, p-tert-Butyl-alpha-methylhydrocinnamic Aldehyde, 4-tert-Butyl-alpha-methylhydrocinnamaldehyde, alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde, Hydrocinnamaldehyde, p-tert-butyl-alpha-methyl-, Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-, alpha-Methyl-beta-(p-tert-butylphenyl)propionaldehyde, Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-, Benzenepropanal, 4-tert-butyl-alpha-methyl-, Lily Aldehyde, Lilyal

TECHNICAL IDENTIFICATION

Chemical Name: 3-(4-tert-Butylphenyl)-2-methylpropanal
INCI Name: Butylphenyl Methylpropional
CAS Number: 80-54-6
EC Number: 201-289-8
Molecular Formula: C14H20O
Molecular Weight: 204.31 g/mol
Chemical Family: Aromatic aldehydes
Functional Group: Aldehyde
Physical Form: Liquid
Stereochemical Form: Normally a racemic mixture
InChIKey: SDQFDHOLCGWZPU-UHFFFAOYSA-N
EU CLP Index Number: 605-041-00-3

PHYSICAL AND CHEMICAL PROPERTIES

Appearance: Clear, colorless to pale-yellow oily liquid
Odor: Strong floral, muguet, watery, green, creamy, and slightly powdery
Relative Density: Approximately 0.940–0.947 at 20–25°C
Refractive Index: Approximately 1.503–1.506 at 20°C
Boiling Point: Approximately 275–280°C at atmospheric pressure
Melting Point: Below approximately -20°C
Flash Point: Approximately 99–100°C, closed cup
Vapor Pressure: Very low, approximately 0.25–0.7 Pa at 20–25°C
Water Solubility: Approximately 33–38 mg/L at 20°C
Solubility: Soluble in alcohol, oils, and many organic fragrance solvents
Log Kow: Approximately 3.9–4.2
Volatility: Low under ambient conditions

FUNCTIONAL CHARACTERISTICS

Lilial provides a substantive floral note associated with lily-of-the-valley and other clean white-floral accords.
Its diffusive character can increase fragrance volume while its comparatively low volatility supports persistence on fabric and other treated surfaces.
It has historically been used in floral, green, clean, powdery, soap, and functional-perfumery compositions.

The material has strong oil-phase affinity and limited direct compatibility with water.
Even relatively low concentrations can materially alter an odor profile, making controlled weighing and staged evaluation important.

As an aldehyde, Lilial can oxidize during prolonged exposure to air, heat, or light.
Oxidation may increase acid value and produce changes in odor, color, and chromatographic purity.
Protection from unsuitable pH conditions, strong oxidants, and incompatible reactive ingredients is therefore important.

PRODUCTION AND COMMERCIAL FORM

A common industrial process begins with base-catalyzed condensation of p-tert-butylbenzaldehyde and propionaldehyde to produce an unsaturated aldehyde intermediate.
Selective catalytic hydrogenation then reduces the carbon-carbon double bond while retaining the required aldehyde functionality.
Catalyst removal, solvent recovery, vacuum distillation, rectification, and final polishing are used to obtain the desired purity, color, and odor profile.

Process control is required to limit residual starting materials, unsaturated intermediate, over-hydrogenated alcohol, oxidation products, positional isomers, residual solvents, catalyst residues, and color-forming impurities.
The odor profile must be evaluated alongside instrumental purity because trace impurities can have a disproportionate sensory effect.

Commercial forms may include neat fragrance-grade liquid, stabilized material, diluted fragrance solutions, process-grade material, and analytical reference standards.
Availability of any form must be confirmed against its intended market and legal use.

APPLICATIONS AND INDUSTRIES

HISTORICAL FRAGRANCE APPLICATIONS

Lilial was historically used in fine fragrances, soaps, shampoos, conditioners, shower products, creams, deodorants, detergents, fabric-care products, cleaners, air-care formulations, polishes, and scented articles.
It was particularly valued for building muguet accords and improving fragrance substantivity.

Lilial has been prohibited in cosmetic products placed on the European Union market since 1 March 2022.
It must therefore not be selected for an EU cosmetic formulation, and legacy formulas should be reviewed for replacement.

NON-COSMETIC FRAGRANCED PRODUCTS

Where local legislation permits, Lilial may remain relevant to selected non-cosmetic detergents, fabric-care products, household cleaners, industrial cleaners, air-care products, polishes, waxes, and scented technical articles.
Each proposed use requires confirmation against the current national rules, product category, exposure assessment, and applicable IFRA Standard.
Permission in one jurisdiction or product category does not establish permission elsewhere.

RESEARCH, SUBSTITUTION AND ANALYTICAL WORK

Lilial can be used in controlled fragrance research to compare muguet odorants, reconstruct legacy compositions, evaluate substitutes, and study odor-performance relationships.
Analytical reference grades may support identification and quantification in cosmetics, detergents, consumer products, environmental samples, and regulatory screening programs.

CHEMICAL INTERMEDIATE

The aldehyde group can support selected condensation, oxidation, reduction, and derivatization reactions in controlled fine-chemical development.
Intermediate use requires a process-specific evaluation of reaction compatibility, occupational exposure, impurity fate, and waste management.
Lilial should not be represented as a food flavor, pharmaceutical ingredient, or EU cosmetic ingredient.
Any specialized application requires explicit regulatory and technical confirmation before purchase.

GRADE SELECTION AND PRODUCT SUITABILITY

Fragrance-development work typically requires controlled odor quality, high chromatographic purity, low color, suitable acid value, and a well-defined isomer profile.
Analytical testing requires a reference standard with assigned identity, purity, traceability, and suitable supporting documentation.
Chemical-processing applications may prioritize assay, impurity limits, residual solvents, water content, and consistency between production lots.

The purchasing specification should identify whether the requested material is neat, stabilized, diluted, racemic, or stereochemically defined.
CAS number alone may be insufficient because related positional isomers and structurally similar muguet aldehydes can be confused in commercial documentation.

FORMULATION AND PROCESS CONSIDERATIONS

Lilial is normally incorporated into the oil or fragrance phase rather than added directly to water.
A compatible solvent or premix may improve dispersion in predominantly aqueous systems.
Solubility, clarity, odor stability, and package compatibility should be verified in the completed formulation.

Exposure to air should be minimized during weighing, blending, and transfer.
Nitrogen blanketing or another suitable inert-gas procedure may be considered for oxidation-sensitive production and storage systems.
Any antioxidant or stabilizer must be compatible with the finished application and declared where required.

Strong oxidizing agents, strong acids, strong alkalis, amines, and other aldehyde-reactive materials can affect stability or create reaction products.
Accelerated aging should examine odor, color, acid value, assay, phase behavior, and packaging interaction under realistic temperature and light conditions.

QUALITY, SPECIFICATIONS AND DOCUMENTATION

Routine quality control may include gas-chromatographic assay, chromatographic impurity profile, odor evaluation, appearance, color, relative density, refractive index, acid value, water content, and residual-solvent testing.
Peroxide or other oxidation indicators may be appropriate where storage history or formulation sensitivity requires them.
Catalyst-metal residues and positional-isomer content may also require limits for demanding technical applications.

Procurement documentation should include the current certificate of analysis, safety data sheet, technical data sheet, shelf-life information, storage conditions, country of origin, transport classification, and lot traceability.
Application-dependent documentation may include an IFRA conformity statement, allergen declaration, reproductive-hazard status, Candidate List declaration, and confirmation that the material is not intended for prohibited cosmetic use.

SAFETY AND REGULATORY CONSIDERATIONS

The harmonized European classification identifies Lilial as Reproductive Toxicity Category 1B with hazard statement H360Fd, meaning that it may damage fertility and is suspected of damaging the unborn child.
Workplace controls should consequently minimize exposure and specifically address reproductive hazards.

Product-specific safety data may additionally classify the material as harmful if swallowed, irritating to skin, capable of causing allergic skin reactions, and hazardous to aquatic life with long-lasting effects.
The supplier’s current safety data sheet governs the classification and precautionary statements for the exact composition supplied.

Lilial is included within a reproductive-toxic substance group on the European REACH Candidate List.
Associated communication, notification, workplace, article, and supply-chain duties must be evaluated for the transaction concerned.
Its authorisation and restriction status should be checked at the transaction date.

European rules concerning the supply of Category 1A or 1B reproductive toxicants to the general public may apply above specified concentration limits.
Regulatory treatment outside Europe varies, and legality must be confirmed separately for every destination and end-use category.

Shipments may fall under UN 3082, Environmentally Hazardous Substance, Liquid, N.O.S., Class 9, Packing Group III, when the applicable environmental-hazard criteria are met.
The current safety data sheet, transport mode, package size, concentration, and available exemptions must determine the final shipping classification.

FIRST AID

Inhalation: Move the affected person to fresh air, keep them at rest, and obtain medical attention if symptoms occur or persist
Skin Contact: Remove contaminated clothing and wash the affected skin thoroughly with soap and water
Eye Contact: Rinse cautiously with clean water for at least 15 minutes, remove contact lenses when easy to do, and seek medical advice if irritation continues
Ingestion: Rinse the mouth, do not induce vomiting, and obtain urgent medical or poison-control advice
Sensitization: Seek medical attention if a rash, swelling, or allergic response develops

HANDLING AND STORAGE

Lilial should be handled in a well-ventilated area using closed transfer equipment where practical.
Suitable chemical-resistant gloves, protective clothing, and safety goggles should be selected through a workplace exposure and compatibility assessment.
Mist, vapor, skin contact, ingestion, and contamination of personal clothing should be avoided.

Store the material in tightly closed, compatible containers in a cool, dry, and well-ventilated location.
Protect it from direct sunlight, excessive heat, ignition sources, air exposure, strong oxidants, acids, alkalis, and other incompatible chemicals.
Containers should be resealed promptly after sampling or dispensing.

Spills should be contained with a suitable inert, non-combustible absorbent.
The material must be prevented from entering drains, surface water, soil, or uncontrolled waste streams.
Contaminated absorbent and packaging should be disposed of under the applicable hazardous-waste requirements.

PACKAGING AND PROCUREMENT CONSIDERATIONS

Lilial may be supplied in compatible sealed bottles, pails, or drums selected for the ordered quantity and product grade.
Light protection, low headspace, suitable closure materials, and optional inert-gas protection can help limit oxidation during storage.
Packaging compatibility should be confirmed when extended storage or repeated opening is expected.

Purchase orders should specify the exact chemical identity, CAS number, grade, concentration, required assay, odor expectations, impurity limits, packaging size, destination country, and intended application.
The buyer should also define whether restrictions on reproductive toxicants, cosmetic ingredients, fragrance allergens, Candidate List substances, or environmentally hazardous transport materials affect the order.

Because Lilial is a highly regulated legacy fragrance material, procurement should proceed only after the intended use and destination-market legality have been documented.
For current availability, grade selection, specification review, regulatory documentation, packaging options, and supply planning for Lilial, contact Ataman Kimya at +90 216 577 10 10 or info@atamankimya.com.