A24001

Acrolein diethyl acetal

96%

• Synonym(s): 3,3-Diethoxy-1-propene
• Linear Formula: CH₂=CHCH(OCH₂CH₃)₂
• CAS Number: 3054-95-3
• Molecular Weight: 130.18
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24890652
• EC Number: 221-276-0
• Beilstein/REAXYS Number: 1701567
• MDL number: MFCD00009239
• Assay: 96%
• Form: liquid

Properties

• Quality Segment: 200
• assay: 96%
• form: liquid
• refractive index: n20/D 1.398 (lit.)
• bp: 125 °C (lit.)
• density: 0.854 g/mL at 25 °C (lit.)
• SMILES string: CCOC(OCC)C=C
• InChI: 1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
• InChI key: MCIPQLOKVXSHTD-UHFFFAOYSA-N

Description

Application

Acrolein diethyl acetal is widely used to carry out chemoselective Heck arylation to synthesize either 3-arylpropanoate esters or cinnamaldehyde derivatives.

It can also be used as one of the precursors to synthesize natural products like (−)-(Z)-Deoxypukalide, (−)-Laulimalide, botryodiplodin, neolaulimalide and isolaulimalide.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P280 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• flash_point_f: 59.0 °F - closed cup
• flash_point_c: 15 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter