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Merck
CN

27614

Methyl benzoate

≥99% (GC)

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About This Item

Linear Formula:
C6H5COOCH3
CAS Number:
93-58-3
Molecular Weight:
136.15
EC Number:
202-259-7
UNSPSC Code:
12352100
PubChem Substance ID:
57648232
Beilstein/REAXYS Number:
1072099
MDL number:
MFCD00008421
Assay:
≥99% (GC)

Key Documents

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InChI key

QPJVMBTYPHYUOC-UHFFFAOYSA-N

InChI

1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3

SMILES string

COC(=O)c1ccccc1

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.)

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General description

Methyl benzoate is the most abundant volatile scent compound present in snapdragon flowers.

Application

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

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

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
STBG4398V
SZBF3500
SZBF3500V
SZBC1370V
SZBC1370

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Benzoylations of Both Methyl Ketone Groups of Bisacetylferrocene with Methyl Benzoate and Alkali Amides to Form the Bis-?-diketone. Certain Derivatives1.
Hauser CR and Cain CE.
The Journal of Organic Chemistry, 23(8), 1142-1146 (1958)
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
Nan Zhao et al.
Plant physiology and biochemistry : PPB, 48(4), 279-287 (2010-03-05)
Two benzenoid esters, methyl salicylate (MeSA) and methyl benzoate (MeBA), were detected from insect-damaged rice plants. By correlating metabolite production with gene expression analysis, five candidate genes encoding putative carboxyl methyltransferases were identified. Enzymatic assays with Escherichia coli-expressed recombinant proteins
M Iqbal Choudhary et al.
Phytochemistry, 69(4), 1018-1023 (2008-01-08)
Two glycosides, 6'-O-(3,4-dihydroxy benzoyl)-beta-D-glucopyranosyl ester (1), and 4-O-beta-d-glucopyranoside-3-hydroxy methyl benzoate (2), along with five known compounds methyl benzoate (3), hypogallic acid (4), caffeic acid (5), paeoniflorin (6) and pikuroside (7) were isolated for the first time from a fresh water
Gianfranco Cainelli et al.
Chemistry & biodiversity, 5(5), 811-829 (2008-05-22)
Novel 4-alkylidene-beta-lactams with a polyphenolic side chain were synthesized and evaluated as radical scavengers. We have undertaken a detailed study of the antioxidant activity in vitro with chemical and biological testing of the new beta-lactams and of the corresponding methyl
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