Propyl isovalerate
Synonym(s):Propyl 3-methylbutanoate;Propyl 3-methylbutyrate
- CAS NO.：557-00-6
- Empirical Formula: C8H16O2
- Molecular Weight: 144.21
- MDL number: MFCD00048695
- EINECS: 209-148-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-25 18:01:20
What is Propyl isovalerate?
Chemical properties
Propyl isovalerate has a fruity odor and a bittersweet flavor similar to apple.
Occurrence
Reported found in banana, Gruyere de Comte cheese and jackfruit.
Preparation
By prolonged boiling of propyl alcohol with isovaleric acid in benzene in the presence of concentrated H2SO4.
Definition
ChEBI: Propyl 3-methylbutanoate is a fatty acid ester.
Aroma threshold values
Detection: 8.7 to 33 ppb
Properties of Propyl isovalerate
| Melting point: | -63.35°C (estimate) |
| Boiling point: | 155.8°C |
| Density | 0.862 g/mL at 20 °C(lit.) |
| FEMA | 2960 | PROPYL ISOVALERATE |
| refractive index | n |
| Flash point: | 44 °C |
| Odor | at 100.00 %. bitter sweet apple fruity |
| Odor Threshold | 0.000056ppm |
| JECFA Number | 197 |
| BRN | 1747146 |
| NIST Chemistry Reference | Propyl isovalerate(557-00-6) |
Safety information for Propyl isovalerate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Propyl isovalerate
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