Dibutyl maleate

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Product Information

Molecular Formula:
C12H20O4
Molecular Weight:
228.28
Description
Dibutyl maleate (CAS# 105-76-0) is a reagent used in the preparation of lactones for the synthesis of antibacterial compounds.
Synonyms
dibutyl but-2-enedioate
IUPAC Name
dibutyl (Z)-but-2-enedioate
Canonical SMILES
CCCCOC(=O)C=CC(=O)OCCCC
InChI
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3
InChI Key
JBSLOWBPDRZSMB-UHFFFAOYSA-N
Boiling Point
274-277 °C
Melting Point
-85 °C
Flash Point
138 °C (C.C)
Purity
95 %
Density
0.988 g/cm3
Appearance
Clear colourless to slightly yellowish liquid
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Refrigerator (approx 4 °C).
Refractive Index
1.4450
LogP
2.22920

Safety Information

Hazards
H315 H319 H335
Precautionary Statement
P260, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
10
Exact Mass
228.13615911 g/mol
Monoisotopic Mass
228.13615911 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
209
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113956179-A Acetonitrile refining method and application thereof 2021-12-20
CN-114133342-A Acetonitrile working solution for preparing chromatograph and preparation method thereof 2021-12-20
CN-113980508-A Diluent for ultrafast dry resistance welding ink and preparation method thereof 2021-11-28
CN-114123088-A MC (monomer casting) underground rubber flexible cable convenient to mount and fix 2021-11-26
CN-114032015-A Polyurea coating composition and preparation method and application thereof 2021-11-24
DE-202021106362-U1 Cosmetic preparation for intensive care and treatment of facial skin 2021-11-22
DE-202021106363-U1 Cosmetic preparation for the care and treatment of facial skin 2021-11-22
CN-113845714-A Green environment-friendly packaging bag and production method thereof 2021-11-20
CN-113929825-A Carboxylic styrene-butadiene latex for building coating and preparation method thereof 2021-11-19
JP-2022036981-A Cosmetic blend 2021-11-19

Literatures

PMID Publication Date Title Journal
21105742 2011-01-14 Structure-activity comparison of the cytotoxic properties of diethyl maleate and related molecules: identification of diethyl acetylenedicarboxylate as a thiol cross-linking agent Chemical research in toxicology
19397629 2009-05-01 Allergic contact dermatitis from occupational exposure to dibutyl maleate Contact dermatitis
18983093 2008-10-15 Composition-explicit distillation curves of diesel fuel with glycol ether and glycol ester oxygenates: fuel analysis metrology to enable decreased particulate emissions Environmental science & technology
17196806 2007-06-01 Poly(2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate, dibutyl maleate) membrane controlled clonidine zero-order release European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V
12757787 2003-08-01 Biodegradation of potential diesel oxygenate additives: dibutyl maleate (DBM), and tripropylene glycol methyl ether (TGME) Chemosphere
321785 1977-04-01 Antifungal properties of 2-bromo-3-fluorosuccinic acid esters and related compounds Journal of medicinal chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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