BUTYL VALERATE
- CAS NO.：591-68-4
- Empirical Formula: C9H18O2
- Molecular Weight: 158.24
- MDL number: MFCD00015258
- EINECS: 209-728-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-25 18:01:18
What is BUTYL VALERATE?
Chemical properties
Characteristic fruity (apple-raspberry) odor and corresponding sweet taste.
Occurrence
Reported found in fresh apple, bananas, blackberry, plum, whiskey, malt and Bourbon vanilla.
Preparation
By esterification of the acid with n-butyl alcohol in the presence of concentrated H2SO2 at the boil.
Definition
ChEBI: Butyl pentanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 10 ppm: sweet, pineapple, fruity, banana, ripe and tutti-frutti.
Synthesis Reference(s)
Tetrahedron, 49, p. 8169, 1993 DOI: 10.1016/S0040-4020(01)88036-4
Properties of BUTYL VALERATE
| Melting point: | -92.8°C |
| Boiling point: | 186-187 °C (lit.) |
| Density | 0.868 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 2217 | BUTYL VALERATE |
| Flash point: | 152 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. sweet fruity pineapple green raspberry tropical |
| Water Solubility | 83.87mg/L(25 ºC) |
| JECFA Number | 160 |
| CAS DataBase Reference | 591-68-4(CAS DataBase Reference) |
| EPA Substance Registry System | Pentanoic acid, butyl ester (591-68-4) |
Safety information for BUTYL VALERATE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for BUTYL VALERATE
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ALUMINIUM IODIDE 100 GM BUFFER CAPSULE PH 7.0 - 10 CAP BUFFER SOLUTION PH 9.5 (BORATE) EZEE BLUE GEL STAINER BORAX CARMINE (GRENACHERS ALCOHOLIC) POTASSIUM IODATE - IODIDE SOLN 0.1 N Dabigatran Acyl-O3-D-Glucuronide Trifluoroacetic Acid Salt Isofolic Acid Dabigatran 2-O-acylglucuronide metabolite Dabigatran Acyl-?-D- glucuronide Trifluroacetic Acid Erythromycin EP Impurity A Desloratidine Related Compound ARelated products of tetrahydrofuran
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