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Topic summary

Methyl benzoate

Methyl benzoate
Names Preferred IUPAC name
Methyl benzoate
Systematic IUPAC name
Methyl benzenecarboxylate
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard100.002.055
UNII
  • InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
    Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N
  • InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
    Key: QPJVMBTYPHYUOC-UHFFFAOYAK
  • O=C(OC)c1ccccc1
Properties C6H5COOCH3Molar mass136.150 g·mol Appearance Colourless liquid Density1.0837 g/cmMelting point−12.35 °C (9.77 °F; 260.80 K) Boiling point199 °C (390 °F; 472 K) log P2.1 Vapor pressure0.51 hPa (0.0074 psi) −81.95×10 cm/mol1.5164 Viscosity1.94 mPa·s (23 °C (73 °F; 296 K)) Hazards GHS labelling: WarningH227, H302, H361, H402P201, P202, P210, P264, P270, P273, P280, P301+P312+P330, P308+P313, P370+P378, P403+P235, P405, P501NFPA 704 (fire diamond)
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2
0
Flash point77 °C (171 °F; 350 K) 518 °C (964 °F; 791 K) Explosive limits8.6%–20%Lethal dose or concentration (LD, LC): 1625 mg/kg (rat, male) Related compounds
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Methyl benzoate is an organic compound. It is an ester with the chemical formulaC6H5COOCH3, sometimes abbreviated as PhCO2Me, where Ph and Me are phenyl and methyl, respectively. Its structure is C6H5−C(=O)−O−CH3. It is a colorless liquid that is poorly soluble in water, but miscible with organic solvents. Methyl benzoate has a pleasant smell, with almond and floral aromas, and it is used in perfumery. It also finds use as a solvent and as a pesticide used to attract insects such as orchid bees.

Wikipedia source