Dibutyl maleate - CAS 105-76-0
Catalog: |
BB001707 |
Product Name: |
Dibutyl maleate |
CAS: |
105-76-0 |
Synonyms: |
dibutyl but-2-enedioate |
IUPAC Name: | dibutyl (Z)-but-2-enedioate |
Description: | Dibutyl maleate (CAS# 105-76-0) is a reagent used in the preparation of lactones for the synthesis of antibacterial compounds. |
Molecular Weight: | 228.28 |
Molecular Formula: | C12H20O4 |
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). |
MDL: | MFCD00009447 |
LogP: | 2.22920 |
Refractive Index: | 1.4450 |
GHS Hazard Statement: | H315 (40.92%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
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PMID | Publication Date | Title | Journal |
21105742 | 20110114 | 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 | 20090501 | Allergic contact dermatitis from occupational exposure to dibutyl maleate | Contact dermatitis |
18983093 | 20081015 | 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 | 20070601 | 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 | 20030801 | Biodegradation of potential diesel oxygenate additives: dibutyl maleate (DBM), and tripropylene glycol methyl ether (TGME) | Chemosphere |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 228.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.13615911 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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