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Merck
CN

690198

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

≥98.0% (GC)

Synonym(s):

Diethyl squarate, Squaric acid diethyl ester

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About This Item

Linear Formula:
(C2H5O)2C4(=O)2
CAS Number:
5231-87-8
Molecular Weight:
170.16
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
640626
MDL number:
MFCD00001333

Key Documents

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InChI key

DFSFLZCLKYZYRD-UHFFFAOYSA-N

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

assay

≥98.0% (GC)

manufacturer/tradename

Lonza Ltd

bp

95 °C/0.1 mmHg (lit.)

density

1.15 g/mL at 25 °C (lit.)

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBJ0113V
BCBG5006V
BCBD2089V
1412669
1410546

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M G Wilkerson et al.
Journal of the American Academy of Dermatology, 13(2 Pt 1), 229-234 (1985-08-01)
Two squaric acid diesters, squaric acid diethyl ester (SADEE) and squaric acid dibutyl ester (SADBE), have been suggested as replacements for 2,4-dinitrochlorobenzene in the treatment of alopecia areata and alopecia totalis. We synthesized these squaric acid diesters and examined them
Frederik Wurm et al.
Biomacromolecules, 13(4), 1161-1171 (2012-03-02)
Polymer-protein conjugates generated from side chain functional synthetic polymers are attractive because they can be easily further modified with, for example, labeling groups or targeting ligands. The residue specific modification of proteins with side chain functional synthetic polymers using the
E F Sherertz et al.
Archives of dermatological research, 280(1), 57-60 (1988-01-01)
Squaric acid diethylester and squaric acid dibutylester have been used in contact sensitization therapy of alopecia areata. This study investigated the application of these esters or squaric acid alone to hairless mouse and human skin in vitro to determine squaric
The relationship between sensitization with squaric acid diethylester and IgE-mediated allergy.
P D Pigatto et al.
Bollettino dell'Istituto sieroterapico milanese, 63(3), 226-228 (1984-07-31)
Sensitizing potential of cyclobutenediones.
J Avalos et al.
Contact dermatitis, 21(5), 341-342 (1989-11-01)
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