Ethyl octanoate
ALDRICH/W244910 - natural, ≥98%, FCC, FG
Synonym: Ethyl caprylate
CAS Number: 106-32-1
Empirical Formula (Hill Notation): C10H20O2
Molecular Weight: 172.26
EC Number: 203-385-5
MDL Number: MFCD00009552
Linear Formula: CH3(CH2)6COOC2H5
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| bp | 206-208 °C (lit.) |
| density | 0.867 g/mL at 20 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| natural | |
| InChI | 1S/C10H20O2/c1-3-5-6-7-8- |
| InChI key | YYZUSRORWSJGET-UHFFFAOYSA |
| mp | −48-−47 °C (lit.) |
| organoleptic | banana; fruity; floral; pineapple |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FCC | |
| FDA 21 CFR 117 | |
| SMILES string | CCCCCCCC(=O)OCC |
| solubility | ethanol: soluble 1ml/4ml, clear, colorless (70% ethanol) |
| vapor pressure | 0.02 mmHg ( 25 °C) |
| Application: | Ethyl octanoate is suitaible reagent used as standard for the measurement of flavor-active compounds by gas chromatography. It may be employed as acyl donor in acyl transfer reactions catalyzed by Candida antarctica lipase B in organic media and in lipase catalyzed acyl transfer reaction with 2-octanol as acyl acceptor. |
| Application: | Ethyl octanoate may be employed as acyl donor in the Candida antarctica lipase B catalyzed acyl transfer reactions. Reaction mechanism and kinetics of these reactions have been studied. |
| General description: | Ethyl octanoate is an ethyl ester. It is an aroma active compound and is mainly responsible for the aroma of durian juices and wines. Its odor activity value (OAV) has been measured. It has been identified as an odor active compound present in the young monovarietal red wines prepared from various grape species. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 100 g in poly bottle |
| Packaging: | 4 kg in poly drum |
| Symbol |  GHS09 |
| Hazard statements | H411 |
| Precautionary statements | P273 - P391 - P501 |
| Hazard Codes | Xi |
| Risk Statements | 38 |
| WGK Germany | WGK 2 |
| Flash Point(F) | 167.0 °F - closed cup |
| Flash Point(C) | 75 °C - closed cup |
| Purity | ≥98% |
| bp | 206-208 °C (lit.) |
| mp | −48-−47 °C (lit.) |
| Density | 0.867 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2449 |
| UNSPSC | 12164502 |