Merck
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M29908

Sigma-Aldrich

Methyl benzoate

99%

Linear Formula:
C6H5COOCH3
CAS Number:
Molecular Weight:
136.15
Beilstein:
1072099
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor density

4.68 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

assay

99%

form

liquid

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

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General description

Methyl benzoate is a volatile aromatic ester compound widely used in perfumery industries. It is naturally occurring in guava, mango, and kiwifruit.

Application

Methyl benzoate (C6H5CO2CH3) can be utilized as a precursor for:
  • Selective synthesis of benzaldehyde using supported manganese oxide catalysts.;
  • Preparation of benzophenone derivatives by reacting with aryl compounds via Friedel-Crafts acylation.

Packaging

3 kg in poly bottle
25 g in glass bottle
500 g in poly bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

170.6 °F - Pensky-Martens closed cup

Flash Point(C)

77 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Characterization and Activity of MnO/γ-Al2O3 for Hydrogenation of Methyl Benzoate to Benzaldehyde
Xu H-L, et al.
Chin. J. Chem., 19(7), 647-651 (2001)
Direct aerobic oxidation of primary alcohols to methyl esters catalyzed by a heterogeneous gold catalyst
Nielsen IS, et al.
Catalysis Letters, 116(1-2), 35-40 (2007)
Hydrogenation of methyl benzoate to benzaldehyde over manganese oxide catalysts prepared from Mg/Mn/Al hydrotalcite-like compounds
Chen A, et al.
Applied Catalysis A: General, 274(1-2), 101-109 (2004)
N Dudareva et al.
The Plant cell, 12(6), 949-961 (2000-06-15)
In snapdragon flowers, the volatile ester methyl benzoate is the most abundant scent compound. It is synthesized by and emitted from only the upper and lower lobes of petals, where pollinators (bumblebees) come in contact with the flower. Emission of
Trifluoromethanesulfonic acid catalyzed novel Friedel-Crafts acylation of aromatics with methyl benzoate.
Hwang JP, et al.
Tetrahedron, 56(37), 7199-7203 (2000)

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