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Merck
CN

12390

Benzyl benzoate

purum, ≥99.0% (GC)

Synonym(s):

Benzoic acid benzyl ester

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About This Item

Linear Formula:
C6H5COOCH2C6H5
CAS Number:
120-51-4
Molecular Weight:
212.24
UNSPSC Code:
12352100
PubChem Substance ID:
24847588
eCl@ss:
32110502
EC Number:
204-402-9
Beilstein/REAXYS Number:
2049280
MDL number:
MFCD00003075

Key Documents

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vapor pressure

1 mmHg ( 125 °C)

grade

purum

assay

≥99.0% (GC)

autoignition temp.

896 °F

refractive index

n20/D 1.568 (lit.), n20/D 1.569

bp

323-324 °C (lit.)

mp

17-20 °C (lit.)

density

1.118 g/mL at 20 °C (lit.)

SMILES string

O=C(OCc1ccccc1)c2ccccc2

InChI

1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChI key

SESFRYSPDFLNCH-UHFFFAOYSA-N

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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

298.4 °F - closed cup

flash_point_c

148 °C - closed cup

ppe

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

Regulatory Information

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Osamu Ohno et al.
Bioorganic & medicinal chemistry, 16(16), 7843-7852 (2008-08-02)
Hypertension is a lifestyle-related disease which often leads to serious conditions such as heart disease and cerebral hemorrhage. Angiotensin II (Ang II) plays an important role in regulating cardiovascular homeostasis. Consequently, antagonists that block the interaction of Ang II with
Mutasem O Taha et al.
Journal of medicinal chemistry, 51(20), 6478-6494 (2008-09-24)
Hormone sensitive lipase (HSL) has been recently implicated in diabetes and obesity, prompting attempts to discover new HSL inhibitors. Toward this end, we explored the pharmacophoric space of HSL inhibitors using four diverse sets of compounds. Subsequently, genetic algorithm and

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