8.01808

Ethyl benzoylacetate

for synthesis

• Synonym(s): Ethyl benzoylacetate, Benzoylacetic acid ethyl ester, 3-Oxo-3-phenylpropionic acid ethyl ester
• Empirical Formula (Hill Notation): C₁₁H₁₂O₃
• CAS Number: 94-02-0
• Molecular Weight: 192.21
• UNSPSC Code: 12352108
• EC Index Number: 202-295-3
• NACRES: NA.22
• MDL number: MFCD00009196
• Assay: ≥95.0% (acidimetric)
• Form: liquid

Properties

• vapor pressure: 1 hPa ( 108 °C)
• Quality Segment: 200
• assay: ≥95.0% (acidimetric)
• form: liquid
• autoignition temp.: 375 °C (DIN 51794)
• potency: >5000 mg/kg LD₅₀, oral (Rat)
• transition temp: flash point 140 °C
• density: 1.114 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(CC)C(=O)CC(=O)c1ccccc1
• InChI: 1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• InChI key: GKKZMYDNDDMXSE-UHFFFAOYSA-N

Description

Analysis Note

Assay (acidimetric): ≥ 95.0 %
Density (d 20 °C/ 4 °C): 1.105 - 1.120
Identity (IR): passes test

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk: WGK 2
• flash_point_f: 284.0 °F - closed cup
• flash_point_c: 140 °C - closed cup