Methyl hexanoate
SIAL/21599 - analytical standard
Synonym: Caproic acid methyl ester; Hexanoic acid methyl ester; Methyl caproate
CAS Number: 106-70-7
Empirical Formula (Hill Notation): C7H14O2
Molecular Weight: 130.18
EC Number: 203-425-1
MDL Number: MFCD00009510
Linear Formula: CH3(CH2)4COOCH3
Product Type: Chemical
| assay | ≥98.0% (GC) |
| density | 0.884 g/mL at 20 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C7H14O2/c1-3-4-5-6-7(8 |
| InChI key | NUKZAGXMHTUAFE-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCC(=O)OC |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| Application: | Methyl hexanoate may be used as an analytical reagent in determination of the analyte from aged cava sparkling wine by gas chromatography−mass spectrometry (GC−MS) method following simultaneous distillation extraction (SDE) and closed-loop stripping analysis (CLSA). |
| Application: | 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 . |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 |
| Risk Statements | 10 |
| Safety Statements | 7-16-36/37/39 |
| RIDADR | UN 3272 3 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 99.5 °F - closed cup |
| Flash Point(C) | 37.5 °C - closed cup |
| Purity | ≥98.0% (GC) |
| Density | 0.884 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |