Octyl acetate
SIAL/04622 - analytical standard
Synonym: Acetic acid octyl ester
CAS Number: 112-14-1
Empirical Formula (Hill Notation): C10H20O2
Molecular Weight: 172.26
EC Number: 203-939-6
MDL Number: MFCD00009562
Linear Formula: CH3CO2(CH2)7CH3
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥98.5% (GC) |
| autoignition temp. | 515 °F |
| bp | 211 °C (lit.) |
| density | 0.867 g/mL at 25 °C (lit.) |
| expl. lim. | 8.14 % |
| format | neat |
| grade | analytical standard |
| impurities | ≤0.5% water |
| InChI | 1S/C10H20O2/c1-3-4-5-6-7- |
| InChI key | YLYBTZIQSIBWLI-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCCCCOC(C)=O |
| vapor density | 5.9 (vs air) |
| Application: | Octyl acetate may be used as a reference standard for the determination of the analyte in wine samples and orange juice by chromatography based techniques. |
| General description: | Octyl acetate is an aliphatic ester. It occurs as a constituent of essential oils derived from various fruits and is widely used in food processing industries due to its ability to impart a characteristic citrus flavor. |
| WGK Germany | WGK 2 |
| Flash Point(F) | 186.8 °F - closed cup |
| Flash Point(C) | 86 °C - closed cup |
| Purity | ≥98.5% (GC) |
| bp | 211 °C (lit.) |
| Density | 0.867 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |