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Merck
CN

339792

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

98%

Synonym(s):

Dibutyl squarate

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About This Item

Linear Formula:
[CH3(CH2)3O]2C4(=O)2
CAS Number:
2892-62-8
Molecular Weight:
226.27
NACRES:
NA.22
PubChem Substance ID:
24860681
UNSPSC Code:
12352100
MDL number:
MFCD00037150

Key Documents

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Product Name

3,4-Dibutoxy-3-cyclobutene-1,2-dione, 98%

InChI

1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3

SMILES string

CCCCOC1=C(OCCCC)C(=O)C1=O

InChI key

XBRWELTXMQSEIN-UHFFFAOYSA-N

assay

98%

form

liquid

refractive index

n20/D 1.494 (lit.)

bp

139 °C/0.5 mmHg (lit.)

density

1.047 g/mL at 25 °C (lit.)

functional group

ether
ketone

Quality Level

200

Related Categories

Application

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.

General description

3,4-Dibutoxy-3-cyclobutene-1,2-dione is the dialkyl ester of squaric acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ1016
MKCV9981
MKCT1801
MKCQ1096
MKCK8731

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Amy J McMichael et al.
Dermatology nursing, 16(4), 333-336 (2004-10-09)
Though many therapies exist for alopecia areata, one of the most unique is topical sensitization. By altering the pathogenic inflammatory response with few side effects, sensitizers offer an attractive treatment option for many patients with alopecia areata, including those who
Molecular and crystal structure of 3-butoxy-4-(1, 3, 3-trimethyl-2, 3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1, 2-dione and its thio analog.
Shishkina SV, et al.
Journal of Structural Chemistry, 46(1), 154-158 (2005)
Cutaneous lymphoid hyperplasia related to squaric acid dibutyl ester.
Eric A Millican et al.
Journal of the American Academy of Dermatology, 65(1), 230-232 (2011-06-18)
Aaron E Scott et al.
Toxicology and applied pharmacology, 183(1), 66-70 (2002-09-10)
The ability of chemical or pharmaceutical agents to induce allergic contact dermatitis (ACD) is of major health and regulatory concern. As such, tests to identify their sensitizing capacity, such as the guinea pig maximization test and the more recently developed
C Ajith et al.
Journal of drugs in dermatology : JDD, 5(3), 262-266 (2006-04-01)
Immunotherapy with sqauric acid dibutyl ester (SADBE) is a well-accepted therapy for alopecia areata. To study efficacy, safety, and factors influencing the outcome in the treatment of alopecia areata. During a 4-year period, 70 patients of alopecia areata, unresponsive to
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