Methyl octanoate
SIAL/21719 - analytical standard
Synonym: Caprylic acid methyl ester; Methyl caprylate; Octanoic acid methyl ester
CAS Number: 111-11-5
Empirical Formula (Hill Notation): C9H18O2
Molecular Weight: 158.24
EC Number: 203-835-0
MDL Number: MFCD00009551
Linear Formula: CH3(CH2)6COOCH3
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥99.8% (GC) |
| bp | 193-194 °C (lit.) |
| density | 0.877 g/mL at 20 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C9H18O2/c1-3-4-5-6-7-8 |
| InChI key | JGHZJRVDZXSNKQ-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCCCC(=O)OC |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| Application: | This analytical standard can also be used as follows:• Gas chromatography-tandem differential mobility spectrometry (DMS) based separation and quantification of 16 methyl- and ethyl- fatty acid esters from biodiesel samples • Development and validation of a gas chromatography-flame ionization (GC-FID) method to determine fatty acid methyl esters (FAMEs) in beer wort samples following their solid phase extraction and BF3 based methylation • Comparative analysis of gas chromatography-combustion • Identification and quantification of fatty acids in walnut and coconut oil samples by gas chromatography-mass spectrometry (GC-MS) after their methyl esterification by BF3-MeOH method • Simultaneous determination of fatty acids in bovine colostrum samples by GC-FID after their derivatization to ester forms using an acidic catalyst boron trifluoride |
| General description: | Methyl octanoate, also known as methyl caprylate, is an octanoate ester and belongs to the group of fatty acid methyl esters (FAMEs). It is naturally found in Saccharomyces cerevisiae and other organisms. |
| Other Notes: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Recommended products: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| WGK Germany | WGK 1 |
| Flash Point(F) | 179.6 °F - closed cup |
| Flash Point(C) | 82 °C - closed cup |
| Purity | ≥99.8% (GC) |
| bp | 193-194 °C (lit.) |
| Density | 0.877 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |