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Methyl benzoate

analytical standard

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

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

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

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

Regulatory Information

危险化学品

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Genetic analysis of natural variation in antirrhinum scent profiles identifies benzoic acid carboxymethyl transferase as the major locus controlling methyl benzoate synthesis
Ruiz-Hernandez V, et al.
Frontiers in Plant Science, 8, 27-27 (2017)
A floral fragrance, methyl benzoate, is an efficient green pesticide
Feng Y and Zhang A
Scientific Reports, 7 (2017)
Alternative solvent?based methyl benzoate vortex?assisted dispersive liquid?liquid microextraction for the high?performance liquid chromatographic determination of benzimidazole fungicides in environmental water samples
Santaladchaiyakit Y and Srijarana S
Journal of Separation Science, 37(22), 3354-3361 (2014)
Anna Klimek-Turek et al.
Molecules (Basel, Switzerland), 25(21) (2020-11-04)
In this manuscript, the retention of aromatic hydrocarbons with polar groups has been compared for systems with various nonpolar columns of the types from C3 to C18 and different mobile phases composed of methanol, acetonitrile, or tetrahydrofuran as modifiers. The
Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography?mass spectrometry
Kim JH, et al.
Journal of Chromatography A, 902(2), 389-404 (2000)
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