Butyl acetate CAS#123-86-4
Pleasant Fruity Aroma: Features a strong fruity fragrance that, when diluted, delivers attractive pineapple- and banana-like notes, making it suitable for flavor and fragrance applications.
Excellent Solvent Compatibility: Miscible with ethanol, ether, and most organic solvents, providing outstanding versatility for use in various formulations and industrial processes.
Naturally Occurring Compound: Found naturally in many fruits, vegetables, and berries, including apples, bananas, cherries, grapes, peaches, pears, tomatoes, and cocoa beans.
Widely Used in Flavor Formulations: Commonly utilized in food flavor applications due to its characteristic fruity profile, helping enhance the sensory qualities of flavor products.
Product Description of Butyl Acetate CAS#123-86-4
Butyl acetate is a carboxylic acid ester commonly used as a synthetic flavor and fragrance ingredient. It is a colorless, transparent liquid characterized by a strong fruity aroma. The product is miscible with ethanol and ether and readily soluble in most organic solvents, while being only slightly soluble in water, with a water solubility of approximately 0.05 g.
Its vapor exhibits a mild anesthetic effect, and the permissible concentration in air is 0.2 g/L. Butyl acetate possesses an intense fruity odor which, upon dilution, develops pleasant pineapple- and banana-like notes, although the fragrance persistence is relatively low.
The compound occurs naturally in a variety of fruits, vegetables, and berries. It is primarily used in food flavor formulations and is less commonly employed in household and personal care fragrance applications.
Butyl acetate exists in four isomeric forms: n-butyl acetate, isobutyl acetate, sec-butyl acetate, and tert-butyl acetate, all of which can be found naturally. Among these, n-butyl acetate and isobutyl acetate are the most commercially significant.
n-Butyl acetate is a colorless, transparent liquid with a characteristic fruity aroma. It exhibits an initially pungent taste followed by a sweet note, is highly volatile, and is classified as a flammable liquid. Naturally occurring sources include apples, bananas, cherries, grapes, peaches, plums, pears, tomatoes, and cocoa beans.
Butyl acetate Chemical Properties
| Melting point | -78 °C (lit.) |
| Boiling point | 124-126 °C (lit.) |
| density | 0.88 g/mL at 25 °C (lit.) |
| vapor density | 4 (vs air) |
| vapor pressure | 15 mm Hg ( 25 °C) |
| refractive index | n20/D 1.394(lit.) |
| FEMA | 2174 | BUTYL ACETATE |
| Fp | 74 °F |
| storage temp. | Store at +5°C to +30°C. |
| solubility | 5.3g/l |
| form | Liquid |
| color | ≤10(APHA) |
| Specific Gravity | 0.883 (20/20℃) |
| Odor | Characteristic; agreeable fruity (in low concentrations); non residual. |
| PH | 6.2 (5.3g/l, H2O, 20℃)(External MSDS) |
| explosive limit | 1.4-7.5%(V) |
| Odor Threshold | 0.016ppm |
| Odor Type | ethereal |
| Water Solubility | 0.7 g/100 mL (20 ºC) |
| FreezingPoint | -77.9℃ |
| λmax | λ: 254 nm Amax: 1.0 |
| λ: 260 nm Amax: 0.20 | |
| λ: 275 nm Amax: 0.04 | |
| λ: 300 nm Amax: 0.02 | |
| λ: 320-400 nm Amax: 0.01 | |
| JECFA Number | 127 |
| Merck | 141535 |
| BRN | 1741921 |
| Henry's Law Constant | 5.79 at 37 °C (static headspace-GC, van Ruth et al., 2001) |
| Exposure limits | TLV-TWA 150 ppm (～710 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 200 ppm (～950 mg/m3); IDLH 10,000 ppm (NIOSH). |
| Dielectric constant | 5.0（20℃） |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| InChIKey | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| LogP | 1.82-2.3 at 25℃ |
| CAS DataBase Reference | 123-86-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, butyl ester(123-86-4) |
| EPA Substance Registry System | n-Butyl acetate (123-86-4) |
Safety Information
| Risk Statements | 10-66-67-R67-R66-R10 |
| Safety Statements | 25-S25 |
| RIDADR | UN 1123 3/PG 3 |
| OEB | A |
| OEL | TWA: 150 ppm (710 mg/m3), STEL: 200 ppm (950 mg/m3) |
| WGK Germany | 1 |
| RTECS | AF7350000 |
| Autoignition Temperature | 790 °F |
| TSCA | Yes |
| HS Code | 2915 33 00 |
| HazardClass | 3 |
| PackingGroup | III |
| Hazardous Substances Data | 123-86-4(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 14.13 g/kg (Smyth) |
| IDLA | 1,700 ppm |
Product Application of Butyl Acetate CAS#123-86-4
Butyl acetate, also known as n-butyl acetate, is widely used as a flavoring agent. It is a clear, colorless liquid with a strong fruity aroma. The compound is slightly soluble in water and readily miscible with alcohol, ether, and propylene glycol, making it suitable for various flavor and formulation applications.
