Butyl Acetate is a colorless liquid solvent characterized by a strong fruity aroma. It is primarily used in cosmetic formulations like nail polishes and personal care products for its solvent properties, enhancing product consistency and drying time. The compound’s compatibility with various organic substances makes it a staple in the cosmetic industry, particularly in improving product application and stability.
CAS Number: 123-86-4
Molecular Formula: C6H12O2
Synonyms:
- Acetic acid, butyl ester
- Butyl ethanoate
- Acetic Acid Butyl Ester
- Butylacetat
- n-Butyl ethanoate
+ 26 more…
- N-BUTYL ACETATE
- 1-Butyl acetate
- 1-acetoxybutane
- Acetic acid n-butyl ester
- Butylacetaten
- Acetate de butyle
- Butyl ester of acetic acid
- 1-Butanol, acetate
- Butyle (acetate de)
- Butylazetat
- Butylester kyseliny octove
- Essigsaeurebutylester
- ACETIC ACID,BUTYL ESTER
- Essigsaeure-n-butylester
- Butyl ester, acetic acid
- BUTYL ESTER ACETIC ACID
- FEMA NO. 2174
- EC 204-658-1
- TRIBUTYL ACETYLCITRATE IMPURITY E [EP IMPURITY]
- Butile (acetati di)
- Butylester kyseliny octove [Czech]
- Octan nbutylu
- nButyl ethanoate
- n-BuOAc
- Acetic acid nbutyl ester
- SCHEMBL14969
Properties of Butyl Acetate
Chemical Identifiers
| EC Number | 204-658-1 |
| UNII | 464P5N1905 |
| InChIKey | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)C |
| IUPAC Name | butyl acetate |
| InChI | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
Physical and Chemical Properties
A clear, colorless liquid with a distinct fruity aroma, Butyl Acetate has notable characteristics such as a flammable nature (flash point of 72–88 °F) and a low density that allows it to float on water. Its vapors are heavier than air, posing potential inhalation risks in poorly ventilated areas. These properties, coupled with its low viscosity, make it an effective and widely used solvent.
| Property | Value |
| LogP | log Kow = 1.78 |
| Odor | Strong, fruity aroma |
| Taste | Initially burning, followed by a sweet taste reminiscent of pineapple |
| Density | 0.875 at 68 °F, less dense than water and will float |
| Viscosity | Varies with temperature: 1.002 mPa.s at 0 °C, 0.685 mPa.s at 25 °C, 0.305 mPa.s at 100 °C |
| Color/Form | Colorless liquid |
| Solubility | 1–5 mg/mL at 68 °F |
| Flash Point | 72 °F |
| Boiling Point | 259.7 °F at 760 mmHg |
| Decomposition | Releases acrid smoke and irritating fumes when heated to decomposition |
| Melting Point | -108.2 °F |
| Vapor Density | 4 (heavier than air) |
| Odor Threshold | Low: 0.06 [mmHg] |
| Vapor Pressure | 10 mmHg at 68 °F |
| Surface Tension | 14.5 dynes/cm at 25 °C |
| Refractive Index | 1.3941 at 20 °C/D |
| Heat of Combustion | -13.130 Btu/Lb = -7294 cal/g |
| Heat of Vaporization | 43.86 kJ/mol at 25 °C |
| Henry’s Law Constant | 2.81X10-4 atm-cu m/mol at 25 °C |
| Ionization Potential | 10.00 eV |
| Stability/Shelf Life | Stable under proper storage conditions |
| Kovats Retention Index | 804.9 |
| Autoignition Temperature | 760 °F |
| Relative Evaporation Rate | 1.0 (Butyl Acetate = 1) |
| Other Experimental Properties | Maximum acid value: 0.2 |
Structural Properties
Butyl Acetate is a small, neutral molecule with moderate complexity. It has no charge and contains a limited number of heavy atoms, making it relatively lightweight. The molecule can move and change shape easily due to its flexible bonds. It doesn’t donate hydrogen bonds but can accept a couple, which influences how it interacts with other molecules. Its surface allows for moderate interaction with water, and it has no specific 3D structure variations, keeping its form fairly consistent.
| Property | Value |
| XLogP3 | 1.8 |
| Complexity | 68.9 |
| Exact Mass | 116.083729621 g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Molecular Weight | 116.16 g/mol |
| Monoisotopic Mass | 116.083729621 g/mol |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 4 |
| Compound Is Canonicalized | Yes |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 26.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Uses of Butyl Acetate in Cosmetics
Functional role in cosmetics:
- Butyl Acetate is used as a solvent agent in cosmetics.
Other uses:
- Acts as a plasticizer in film-forming products.
- Used as a flavoring agent in food and cosmetic applications.
- Enhances the fragrance retention in perfumes and body sprays.
Cosmetic Products Containing Butyl Acetate
Recent products using Butyl Acetate in their cosmetic formulations
- Broadway Nails Nail Art Paint
- Nail-Aid Gel Xtreme Shine Top Coat
- L.a. Colors, Extreme Shine Gel Color Craze, Burst
- Pleasing Nail Polish, Perfect Pearl
- Besame Cosmetics Polish Rescue
- Olive & June Nail Polish Remover Pot
- Fav Nail Lacquer, Better Off Red
- Pop Arazzi Nail Polish, Base Coat Clay Vit E
Top companies using Butyl Acetate in their cosmetic products
- Broadway Nails
- Nail-Aid
- L.a. Colors
- Pleasing
- Besame Cosmetics
- Olive & June
- Fav
- Pop Arazzi
How Butyl Acetate Works in Formulations
Butyl Acetate is commonly used in cosmetics as a fast-evaporating solvent, particularly in nail care and fragrance products. It helps dissolve film-forming agents, resins, and fragrance compounds while contributing to quick-drying properties and smooth application.
Ideal Concentration and Benefits in Different Formulations
Nail Care Products
Butyl Acetate widely used in nail polishes, top coats, and base coats as a primary solvent.
- Concentration: 10%–40%
- Benefit: It supports even film formation and glossy finish. Evaporates quickly, allowing rapid drying after application.
Fragrance Products
Butyl Acetate is used as a carrier and volatile solvent in perfumes, body sprays, and fragrance mists.
- Concentration: 1%–5%
- Benefit: Carries and disperses aromatic compounds evenly. Its high volatility gives fragrances a strong initial lift, especially noticeable in top notes
Painted Cosmetic Surfaces (e.g., Body Art, Fast-Drying Makeup)
Acts as a solvent for colorants and binders to create smooth, even application. Supports fast drying and minimal tackiness on skin or hair. Usage levels depend on desired drying speed and product performance.
Compatibility with Other Ingredients
Butyl Acetate is widely compatible with a range of solvents, resins, and polymers, making it a versatile ingredient in formulation development. It blends well with alcohols, esters, ketones, and hydrocarbons, and is commonly used as a solvent in coatings, inks, and adhesives.
In cosmetic formulations, it is compatible with film-formers and plasticizers, aiding in even film deposition and quick drying. However, its reactivity with strong oxidizers and potential to extract plasticizers from packaging materials should be considered. It is required to evaluate its evaporation rate and solvent power (KB value ~52) when assessing compatibility in complex systems.
Stability and Shelf Life
Butyl Acetate is generally stable, but only if treated right. Packaging should be resistant to solvent penetration (e.g., glass or solvent-safe plastics).
- Shelf life: 24–36 months
- Best storage: Should be stored in tightly sealed containers away from heat or ignition sources. Avoid prolonged exposure to air to prevent evaporation and concentration shift in formulations.
Formulation Challenges and Troubleshooting
Butyl Acetate, while useful as a solvent in cosmetics, presents several formulation challenges due to its volatility, flammability, and potential for irritation:
Volatility and Evaporation
Butyl Acetate is highly volatile and evaporates quickly, which can lead to product thickening or uneven application over time, especially in nail and spray products.
Solution: Use airtight, solvent-resistant packaging to reduce evaporation. Incorporate other solvents or plasticizers to balance volatility and improve consistency.
Flammability
Being a flammable solvent, Butyl Acetate poses fire and handling risks during manufacturing and storage.
Solution: Formulate and process in well-ventilated, explosion-proof environments. Use non-sparking tools and comply with flammable material safety guidelines.
Odor Sensitivity
Butyl Acetate has a distinct, fruity odor that may conflict with fragrance profiles or be overpowering at high concentrations.
Solution: Balance with compatible fragrance components or use in well-ventilated applications. Reduce concentration if odor interference is an issue.
Skin and Eye Irritation
At high concentrations, especially in leave-on formulations, Butyl Acetate may cause irritation or sensitization.
Solution: Limit use to rinse-off or nail products. Conduct patch testing and use appropriate warning labels for products with prolonged skin contact.
Packaging Compatibility
Butyl Acetate can dissolve or degrade certain plastics, leading to leakage or contamination.
Solution: Use glass, aluminum, or solvent-resistant plastic containers (e.g., HDPE, PET) to ensure product integrity and safety.
Is Butyl Acetate Safe in Cosmetics?
Safety reports for Butyl Acetate are given below:
- Annual Review of Cosmetic Ingredient Safety Assessments: 2005/2006. Download PDF
- Final Report on the Safety Assessment of Ethyl Acetate and Butyl Acetate. Download PDF
Regulatory Considerations for Using Butyl Acetate in Cosmetic Formulations
Few regulatory considerations are to be taken into account before using Butyl Acetate as an ingredient. Given below is the list of those regulations:
FDA Requirements: Butyl Acetate is approved as a food additive for use as a synthetic flavoring substance, provided it adheres to good manufacturing practices and is used in the minimum quantity required to achieve its intended effect.
Atmospheric Standards: Regulated under standards for VOC emissions in the Synthetic Organic Chemical Manufacturing Industry (SOCMI), requiring emission controls for equipment leaks.
CERCLA Reportable Quantities: Releases of 5,000 pounds (2,270 kg) or more must be reported to the National Response Center as per CERCLA regulations.
Clean Water Act Requirements: Designated as a hazardous substance under the Clean Water Act. Discharges must be regulated and monitored to ensure compliance.
State Drinking Water Guidelines: The maximum allowable concentration of Butyl Acetate in drinking water is set at 2,500 µg/L by Florida regulatory standards.
Butyl Acetate Side Effects
Butyl Acetate exposure can result in irritation to the respiratory system, eyes, and skin. Acute overexposure may cause symptoms like dizziness, drowsiness, and unconsciousness, while chronic exposure can lead to defatting of the skin. Animal studies have indicated potential respiratory and neurological effects at high concentrations, although Butyl Acetate has shown low sensitization potential. Mutagenicity tests have confirmed its non-mutagenic nature.
Potential Risks
Given below is the list of potential side effects associated with the use of Butyl Acetate in cosmetics:
- Chronic solvent encephalopathy (Chronic Poisoning)
- Acute solvent toxic effects (Acute Poisoning)
- Diarrhea-predominant irritable bowel syndrome
- Immunoglobulin A nephropathy
- Nonalcoholic fatty liver disease
Symptoms
- Eye Exposure: May cause redness and pain.
- Skin Exposure: Can lead to dry and cracked skin with prolonged contact.
- Ingestion Exposure: May induce nausea.
- Inhalation Exposure: Potential symptoms include coughing, throat irritation, dizziness, and headache.
Interactions
In developmental toxicity studies, Butyl Acetate was shown to reduce maternal weight gain at higher concentrations. Combined exposures with other chemicals like ethylbenzene or toluene exhibited additive effects but no teratogenic outcomes were noted.
Target Organs
Primary target organs include the eyes, skin, respiratory system, and central nervous system.
Toxicity Data
LC50 (Lethal Concentration, 50%) for Butyl Acetate is 390 ppm over 4 hours in rats, signifying its moderate inhalation toxicity.
Adverse Effects
Prolonged exposure may cause neurotoxic effects and secondary liver damage, based on occupational exposure and ingestion studies.
Exposure Routes
Inhalation is the primary route of exposure to Butyl Acetate vapors.
Antidote and Emergency Treatment
- Immediate First Aid: For inhalation exposure, remove the patient to fresh air and administer oxygen if needed. In cases of eye contact, rinse thoroughly with water. For ingestion, avoid inducing vomiting and provide water for dilution if the patient is conscious.
- Basic Treatment: Ensure clear airways and assist breathing as required. Administer oxygen and monitor for respiratory distress or shock. Treat skin exposure by thorough washing and apply appropriate emollients for irritation. Avoid using emetics for ingestion.
- Advanced Treatment: Consider advanced airway management for severe cases of respiratory distress. Administer fluids cautiously for hypotension and monitor for fluid overload. Treat seizures if present using diazepam or lorazepam. Ensure appropriate cardiac monitoring.
Environmental and Sustainability Impact
Butyl Acetate is used in cosmetics primarily as a solvent, particularly in nail polishes, fragrance formulations, and other fast-drying products. It helps dissolve other ingredients and contributes to quick drying and smooth application. While effective, its use raises environmental and safety considerations:
Environmental Impact
- Water Pollution: Butyl Acetate is volatile and does not persist long in water. However, if discharged in large quantities, it can pose a risk to aquatic organisms due to its moderate toxicity and potential to reduce oxygen availability in water bodies.
- Carbon Footprint: The production of Butyl Acetate involves esterification of acetic acid and butanol, often from petrochemical sources. This contributes to greenhouse gas emissions and energy consumption, especially if fossil fuels are used.
Sustainability
The sustainability of Butyl Acetate depends heavily on how it is sourced, used, and released into the environment.
- Raw Materials: Typically synthesized from petroleum-derived chemicals, Butyl Acetate is not renewable unless produced via green chemistry approaches using bio-based alcohols and acids.
- Energy Use: Manufacturing processes require heat and solvents, contributing to a moderate energy footprint. Cleaner synthesis methods could reduce the environmental cost.
- End-of-Life Impact: Butyl Acetate is highly volatile and evaporates quickly after application. It primarily enters the atmosphere, contributing to low-level smog formation (as a VOC) rather than water pollution. Its decomposition in the environment is relatively fast.
Biodegradability and Toxicity
Butyl Acetate is readily biodegradable and breaks down through natural atmospheric and microbial processes. However, it has moderate aquatic toxicity and may impact aquatic life in high concentrations.
Ammonia Toxicity: Not applicable. However, its breakdown products and vapors can contribute to eye, skin, or respiratory irritation in both humans and wildlife upon prolonged exposure.
Eco-Friendly Alternatives
There are greener solvent options available that can replace Butyl Acetate in some cosmetic formulations:
- Ethyl Lactate: A biodegradable solvent derived from corn, ethyl lactate offers similar solvency power with a much lower environmental footprint and less toxicity.
- Bio-Based Esters: Esters derived from natural oils or alcohols (e.g., isoamyl acetate from fermentation) provide sustainable alternatives with comparable performance in some formulations.
- Water-Based Systems: In some cases, reformulating with water-based carriers or using less aggressive solvents can reduce VOC emissions and environmental impact.
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