8.18701

Benzyl benzoate

for synthesis

• Synonym(s): Benzyl benzoate, Benzoic acid benzyl ester
• Empirical Formula (Hill Notation): C₁₄H₁₂O₂
• CAS Number: 120-51-4
• Molecular Weight: 212.24
• UNSPSC Code: 12352108
• EC Index Number: 204-402-9
• NACRES: NA.22
• MDL number: MFCD00003075
• Assay: ≥98.0% (GC)
• Form: liquid

Properties

• vapor pressure: <0.1 hPa ( 25 °C)
• Quality Segment: 200
• 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

Description

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.

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H302 - H410
• pcodes: P264 - P270 - P273 - P301 + P312 - P391 - P501
• 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