8.01366

Acetaldehyde diethyl acetal

for synthesis

• Synonym(s): Acetaldehyde diethyl acetal, Acetal, 1,1-Diethoxyethane, Diethyl acetal
• Linear Formula: CH₃CH(OC₂H₅)₂
• CAS Number: 105-57-7
• Molecular Weight: 118.17
• UNSPSC Code: 12352112
• EC Index Number: 203-310-6
• NACRES: NA.22
• MDL number: MFCD00009243
• Assay: ≥98% (GC)
• Form: liquid

Properties

• vapor pressure: 20.3 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥98% (GC)
• form: liquid
• autoignition temp.: 230 °C
• potency: 4570 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.6-10.4 % (v/v)
• bp: 102 °C/1013 hPa
• mp: -100 °C
• transition temp: flash point -21 °C
• solubility: 46 g/L
• density: 0.83 g/cm³ at 20 °C
• storage temp.: 2-8°C
• SMILES string: O(C(OCC)C)CC
• InChI: 1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
• InChI key: DHKHKXVYLBGOIT-UHFFFAOYSA-N

Description

Application

• Exploration of New Biomass-Derived Solvents: Highlights the application of acetaldehyde diethyl acetal in carboxylation reactions, demonstrating its potential as a sustainable solvent in synthetic organic chemistry, thereby contributing to green chemistry advancements (Gevorgyan et al., 2020).

Analysis Note

Assay (GC, area%): ≥ 98 %
Density (d 20 °C/ 4 °C): 0.826 - 0.830
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225 - H315 - H319
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 68.0 °F - closed cup
• flash_point_c: < 20 °C - closed cup