Methyl benzoate
SIAL/18344 - analytical standard
CAS Number: 93-58-3
Empirical Formula (Hill Notation): C8H8O2
Molecular Weight: 136.15
EC Number: 202-259-7
MDL Number: MFCD00008421
Linear Formula: C6H5COOCH3
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥99.5% (GC) |
| bp | 198-199 °C (lit.) |
| density | 1.088 g/mL at 20 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C8H8O2/c1-10-8(9)7-5-3 |
| InChI key | QPJVMBTYPHYUOC-UHFFFAOYSA |
| mp | −12 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | COC(=O)c1ccccc1 |
| solubility | H2O: soluble 2.1 g/L at 20 °C |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 4.68 (vs air) |
| vapor pressure | <1 mmHg ( 20 °C) |
| Application: | Methyl benzoate may be used as an extraction solvent for extracting and preconcentrating benzimidazole fungicides in water samples prior to their determination by high-performance liquid chromatography with photodiode array detection (HPLC-PDA). It may also be used as an analytical reference standard for the quantification of the analyte in Rosa hybrida using gas chromatography-mass spectrometry technique (GC-MS). |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | Methyl benzoate (MB) belongs to the class of benzenoid esters. It exists as a naturally occurring compound in a variety of plants including freshwater fern Salvinia molesta, Antirrhinum genus species, etc. MB extracted from the fermented apple juice is reported to possess toxicity against an invasive fruit fly, identified as Drosophila suzukii Matsumura. |
| General description: | This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P301 + P312 + P330 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 36 |
| WGK Germany | WGK 1 |
| Flash Point(F) | 181.4 °F - closed cup |
| Flash Point(C) | 83 °C - closed cup |
| Purity | ≥99.5% (GC) |
| bp | 198-199 °C (lit.) |
| mp | −12 °C (lit.) |
| Density | 1.088 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |