18344

Methyl benzoate

analytical standard

• Linear Formula: C₆H₅COOCH₃
• CAS Number: 93-58-3
• Molecular Weight: 136.15
• Beilstein/REAXYS Number: 1072099
• EC Number: 202-259-7
• MDL number: MFCD00008421
• UNSPSC Code: 85151701
• eCl@ss: 39024501
• PubChem Substance ID: 329751663
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 4.68 (vs air)
• vapor pressure: <1 mmHg ( 20 °C)
• assay: ≥99.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.516 (lit.); n20/D 1.517
• bp: 198-199 °C (lit.)
• mp: −12 °C (lit.)
• solubility: H₂O: soluble 2.1 g/L at 20 °C
• density: 1.088 g/mL at 20 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: COC(=O)c1ccccc1
• InChI: 1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
• InChI key: QPJVMBTYPHYUOC-UHFFFAOYSA-N

Description

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.

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

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).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Warning
• hcodes: H302,H361d
• pcodes: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• Hazard Classifications: Acute Tox. 4 Oral - Repr. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 170.6 °F - Pensky-Martens closed cup
• flash_point_c: 77 °C - Pensky-Martens closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter