Butyl Acetate CAS#123-86-4 Product Description
Butyl acetate is an organic carboxylic acid ester widely utilized as a synthetic flavoring and fragrance ingredient. It is a clear, colorless liquid with a distinctive, strong fruity aroma. It is readily miscible with ethanol and ether and exhibits good solubility in most organic solvents, while showing limited solubility in water (approximately 0.05 g).
Its vapor may produce mild anesthetic effects, and the stated permissible concentration in air is 0.2 g/L. Butyl acetate has an intense fruity fragrance that, when diluted, develops characteristic pineapple- and banana-like notes. However, its fragrance has relatively low persistence.
This compound occurs naturally in various fruits, vegetables, and berries. Its primary application is in food flavor formulations, while its use in household and personal care fragrance products is comparatively limited.
Butyl acetate is available in four structural isomeric forms: n-butyl acetate, isobutyl acetate, sec-butyl acetate, and tert-butyl acetate. All four forms occur naturally, with n-butyl acetate and isobutyl acetate being the most commercially important.
n-Butyl Acetate is a transparent, colorless liquid with a characteristic fruity odor. It has an initially pungent taste followed by a sweet aftertaste. This isomer is highly volatile and classified as a flammable liquid. Natural sources include a variety of fruits and plant-based materials, such as apples, bananas, cherries, grapes, peaches, plums, pears, tomatoes, and cocoa beans.
Butyl Acetate CAS#123-86-4 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) |
Butyl Acetate CAS#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 |
Butyl Acetate CAS#123-86-4 Product Application
Butyl acetate, commonly referred to as n-butyl acetate, is widely utilized as a flavoring ingredient in various formulations. It is a clear, colorless liquid characterized by a distinctive, intense fruity fragrance. With limited solubility in water and excellent miscibility with alcohol, ether, and propylene glycol, it offers good formulation flexibility and is suitable for a variety of flavoring and industrial applications.
