27614

Methyl benzoate

≥99% (GC)

• 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: 12352100
• PubChem Substance ID: 57648232
• assay: ≥99% (GC)

Properties

• vapor density: 4.68 (vs air)
• vapor pressure: <1 mmHg ( 20 °C)
• assay: ≥99% (GC)
• impurities: ≤0.2% free acid (as C₆H₅COOH); ≤0.2% water (Karl Fischer)
• ign. residue: ≤0.05% (as SO₄)
• refractive index: n20/D 1.516 (lit.)
• 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.)
• 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 is the most abundant volatile scent compound present in snapdragon flowers[1].

Application

Methyl benzoate has been used in benzoylations of both methyl ketone groups of bisacetylferrocene to form the bis-β-diketone[2].

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