Ethyl hexanoate
SIAL/08375 - analytical standard
Synonym: Caproic acid ethyl ester; Ethyl caproate
CAS Number: 123-66-0
Empirical Formula (Hill Notation): C8H16O2
Molecular Weight: 144.21
EC Number: 204-640-3
MDL Number: MFCD00009511
Linear Formula: CH3(CH2)4COOC2H5
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥99.0% (GC) |
| bp | 168 °C (lit.) |
| density | 0.869 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| impurities | ≤0.2% water |
| InChI | 1S/C8H16O2/c1-3-5-6-7-8(9 |
| InChI key | SHZIWNPUGXLXDT-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCC(=O)OCC |
| vapor density | 5 (vs air) |
| Application: | Ethyl hexanoate may be used as an analytical reference standard for the determination of the analyte in wine and beer samples by chromatography based techniques. |
| General description: | Ethyl hexanoate, an ester, is a volatile aroma and fragrance compound which impacts the quality and flavor of wine, beer and Japanese sake. |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 - P370 + P378 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 3272 3 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 127.4 °F - closed cup |
| Flash Point(C) | 53 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 168 °C (lit.) |
| Density | 0.869 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |