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.[1] It exists as a naturally occurring compound in a variety of plants including freshwater fern Salvinia molesta,[2] Antirrhinum genus species, etc.[3][4] MB extracted from the fermented apple juice is reported to possess toxicity against an invasive fruit fly, identified as Drosophila suzukii Matsumura.[5]

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).[6] 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).[7]

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