310778

3,4-Diethoxy-3-cyclobutene-1,2-dione

98%

• Synonym(s): Diethyl squarate, Squaric acid diethyl ester
• Linear Formula: (C₂H₅O)₂C₄(=O)₂
• CAS Number: 5231-87-8
• Molecular Weight: 170.16
• Beilstein/REAXYS Number: 640626
• MDL number: MFCD00001333
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858814
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.509 (lit.)
• bp: 95 °C/0.1 mmHg (lit.)
• density: 1.15 g/mL at 25 °C (lit.)
• functional group: ether; ketone
• SMILES string: CCOC1=C(OCC)C(=O)C1=O
• InChI: 1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3
• InChI key: DFSFLZCLKYZYRD-UHFFFAOYSA-N

Description

General description

The reaction of 3,4-diethoxy-3-cyclobutene-1,2-dione (squaric acid diethyl ester) with glycosylamines (formed by reducing oligosaccharides) was studied. The derivatives formed were linked to amino-functionalized lipids, solids or proteins.

Application

3,4-Dethoxy-3-cyclobutene-1,2-dione is used as a starting material for synthesis of furanones and quinones. It undergoes ethoxy substitution with amines and unsaturated organosilanes.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter