Acrolein diethyl acetal

Acrolein diethyl acetal
  • CAS No.:3054-95-3
Other grades of this product :
Acrolein diethyl acetal Basic information
Product Name:Acrolein diethyl acetal
Synonyms:ACROLEIN ACETAL;ACROLEIN DEA;ACROLEIN DIETHYL ACETAL;1,1-DIETHOXY-2-PROPENE;3 3-DIETHOXYPROPENE;3,3-DIETHOXY-1-PROPENE;3,3-diethoxy-1-propen;Acrylaldehyde diethyl acetal
CAS:3054-95-3
MF:C7H14O2
MW:130.18
EINECS:221-276-0
Product Categories:pharmacetical;Pharmaceutical Intermediates
Mol File:3054-95-3.mol
Acrolein diethyl acetal Chemical Properties
Melting point 120-124 °C
Boiling point 125 °C (lit.)
density 0.854 g/mL at 25 °C (lit.)
refractive index n20/D 1.398(lit.)
Fp 40 °F
storage temp. 2-8°C
form Liquid
color Clear colorless
Water Solubility Slightly soluble in water.
BRN 1701567
InChIKeyMCIPQLOKVXSHTD-UHFFFAOYSA-N
CAS DataBase Reference3054-95-3(CAS DataBase Reference)
NIST Chemistry Reference1-Propene, 3,3-diethoxy-(3054-95-3)
EPA Substance Registry System1-Propene, 3,3-diethoxy- (3054-95-3)
Safety Information
Hazard Codes F,Xi
Risk Statements 11-36
Safety Statements 9-16-26-33-29-7/9
RIDADR UN 2374 3/PG 2
WGK Germany 3
RTECS AS1370000
8-13
HazardClass 3
PackingGroup III
HS Code 29110000
MSDS Information
ProviderLanguage
3,3-Diethoxy-1-propene English
SigmaAldrich English
ALFA English
Acrolein diethyl acetal Usage And Synthesis
Chemical Propertiesclear colorless liquid
UsesAcrolein diethyl acetal is a reagent used for the synthesis of a variety of compounds, including cinnamaldehydes.
UsesAcrolein 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.
General DescriptionA colorless liquid with an agreeable odor. Very volatile. Flash point 70°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.
Air & Water ReactionsHighly flammable. Soluble in water. Likely to slowly form peroxidized product when exposed to air. The formed peroxide is likely to be unstable.
Reactivity ProfileEthers, such as DIETHOXYPROPENE, can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
Health HazardInhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.
Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Safety ProfileMutation data reported. A flammable liquid. A dangerous fire hazard when exposed to heat, flame, or oxiduers. When heated to decomposition it emits acrid smoke and fumes.
Purification MethodsAdd Na2CO3 (ca 3.5%) and distil it using an efficient column, or better use a spinning band column. [Witzemann et al. Org Synth Coll Vol II 17 1943, Beilstein 1 H 727, 1 I 378, 1 III 2960, 1 IV 3437.]

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