165174

3-Cyanopropionaldehyde diethyl acetal

≥95.5%

• Synonym(s): 4,4-Diethoxybutanenitrile, 4,4-Diethoxybutyronitrile
• Linear Formula: NCCH₂CH₂CH(OC₂H₅)₂
• CAS Number: 18381-45-8
• Molecular Weight: 157.21
• EC Number: 242-263-6
• MDL number: MFCD00001965
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850128
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: ≥95.5%
• form: liquid
• refractive index: n20/D 1.419 (lit.)
• bp: 104-106 °C/10 mmHg (lit.)
• density: 0.937 g/mL at 25 °C (lit.)
• functional group: ether; nitrile
• SMILES string: CCOC(CCC#N)OCC
• InChI: 1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3
• InChI key: DRZCPHGVEATLFR-UHFFFAOYSA-N

Description

Application

3-Cyanopropionaldehyde diethyl acetal was used as starting reagent in the synthesis of methyl 2-(3,3-diethoxypropyl)-5-methoxyoxazole-4-carboxylate and tert-butyl 2-(3,3-diethoxypropyl)-5-tert-butoxyoxazole-4-carboxylate. It was also used in the synthesis of spermidine derivatives.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 195.8 °F - closed cup
• flash_point_c: 91 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter