3,4-Di-n-butoxy-3-cyclobutene-1,2-dione, 97%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11493198	Thermo Scientific Alfa Aesar A18960.03	1 g
11403208	Thermo Scientific Alfa Aesar A18960.06	5 g
11413208	Thermo Scientific Alfa Aesar A18960.14	25 g

Description

3,4-Dibutoxy-3-cyclobutene-1,2-dione was used in the synthesis of novel semisquarylium dye, useful for highly selective Hg2+ sensing in aqueous media. It was also employed in the synthesis of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione, intermediate for the synthesis of squaryl dyes.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
3,4-Dibutoxy-3-cyclobutene-1,2-dione was used in the synthesis of novel semisquarylium dye, useful for highly selective Hg2+ sensing in aqueous media. It was also employed in the synthesis of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione, intermediate for the synthesis of squaryl dyes.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Chemical Identifiers

• CAS: 2892-62-8
• Molecular Weight (g/mol): 226.27
• InChI Key: XBRWELTXMQSEIN-UHFFFAOYSA-N
• PubChem CID: 65108
• IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione

• Molecular Formula: C12H18O4
• MDL Number: MFCD00037150
• Synonym: dibutyl squarate, 3,4-dibutoxy-3-cyclobutene-1,2-dione, squaric acid dibutyl ester, sadbe, squaric acid dibutylester, 3,4-di-n-butoxy-3-cyclobutene-1,2-dione, unii-4rto57vg65, 1,2-dibutyl squarate, 3-cyclobutene-1,2-dione, 3,4-dibutoxy, acmc-209h5p
• ChEBI: CHEBI:53612
• SMILES: CCCCOC1=C(OCCCC)C(=O)C1=O

Specifications

• CAS: 2892-62-8
• Boiling Point: 155°C to 158°C (3 mmHg)
• Molecular Formula: C12H18O4
• MDL Number: MFCD00037150
• Synonym: dibutyl squarate, 3,4-dibutoxy-3-cyclobutene-1,2-dione, squaric acid dibutyl ester, sadbe, squaric acid dibutylester, 3,4-di-n-butoxy-3-cyclobutene-1,2-dione, unii-4rto57vg65, 1,2-dibutyl squarate, 3-cyclobutene-1,2-dione, 3,4-dibutoxy, acmc-209h5p
• InChI Key: XBRWELTXMQSEIN-UHFFFAOYSA-N
• IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione
• PubChem CID: 65108
• Formula Weight: 226.27
• Chemical Name or Material: 3,4-Di-n-butoxy-3-cyclobutene-1,2-dione

• Density: 1.047
• Flash Point: >110°C (230°F)
• Refractive Index: 1.495
• Beilstein: 1968189
• Solubility Information: Insoluble in water.
• SMILES: CCCCOC1=C(OCCCC)C(=O)C1=O
• Molecular Weight (g/mol): 226.27
• ChEBI: CHEBI:53612
• Percent Purity: 98%

Safety and Handling

GHS H Statement
H315-H319
Causes skin irritation.
Causes serious eye irritation.

P261-P264b-P272-P280-P302+P352-P305+P351+P338-P333+P313-P362-P501c

H315-H317-H319

missing translation for 'rtecsNumber' : GU1772066

missing translation for 'tsca' : No

Recommended Storage : Ambient temperatures

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Skin sensitiser Category 1
• Specific target organ toxicity Category 3

Hazard Statement

• H315-Causes skin irritation.
• H317-May cause an allergic skin reaction.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.

RUO – Research Use Only