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Merck
CN

8.18701

Benzyl benzoate

for synthesis

Synonym(s):

Benzyl benzoate, Benzoic acid benzyl ester

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About This Item

Empirical Formula (Hill Notation):
C14H12O2
CAS Number:
Molecular Weight:
212.24
UNSPSC Code:
12352108
EC Index Number:
204-402-9
NACRES:
NA.22
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
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Quality Level

vapor pressure

<0.1 hPa ( 25 °C)

assay

≥98.0% (GC)

form

liquid

autoignition temp.

480 °C

potency

1904 mg/kg LD50, oral (Rat), 4000 mg/kg LD50, skin (Rabbit)

bp

324 °C/1013 hPa

mp

21 °C

transition temp

flash point 158 °C

solubility

0.0153 g/L

density

1.12 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

O(Cc2ccccc2)C(=O)c1ccccc1

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

Application

  • Essential oil therapy for inflammation: Research highlights the use of Cinnamomum zeylanicum essential oil, containing benzyl benzoate, in treating inflammation. Network pharmacology and experimental verification delineated the multitarget pharmacological mechanism, underscoring its potential as an anti-inflammatory agent (Mohanty et al., 2024).
  • Pest control in agriculture: Benzyl benzoate was evaluated for its effectiveness as an eco-friendly pesticide against the red flour beetle, Tribolium castaneum, demonstrating significant repellency and low toxicity, making it a viable option for sustainable pest management (Aboelhadid et al., 2023).
  • Scabies treatment: A comparative study on the efficacy of topical benzyl benzoate versus oral ivermectin for treating scabies revealed that benzyl benzoate is an effective topical treatment, providing a viable option for scabies management (Meyersburg et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.117 - 1.119
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.


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Warning

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



Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
818701100004022536442983
818701010004022536442976