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18344

Methyl benzoate

analytical standard

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About This Item

Linear Formula:
C6H5COOCH3
CAS Number:
93-58-3
Molecular Weight:
136.15
NACRES:
NA.24
PubChem Substance ID:
329751663
eCl@ss:
39024501
UNSPSC Code:
85151701
EC Number:
202-259-7
MDL number:
MFCD00008421
Beilstein/REAXYS Number:
1072099
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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

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.

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pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2

Storage Class

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH1057
BCCG1217
BCCF1334
BCCD7488
BCCC5698

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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)
null
María Manchado-Rojo et al.
The Plant journal : for cell and molecular biology, 72(2), 294-307 (2012-06-20)
The transcriptional network topology of B function in Antirrhinum, required for petal and stamen development, is thought to rely on initial activation of transcription of DEFICIENS (DEF) and GLOBOSA (GLO), followed by a positive autoregulatory loop maintaining gene expression levels.
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Global Trade Item Number

SKUGTIN
18344-1ML-F04061838756213
18344-5ML-F04061838756220