Diethyl maleate - CAS 141-05-9
Catalog: |
BB009149 |
Product Name: |
Diethyl maleate |
CAS: |
141-05-9 |
Synonyms: |
diethyl (Z)-but-2-enedioate |
Application: |
Used in organic synthesis and as a flavoring agent. |
IUPAC Name: | diethyl (Z)-but-2-enedioate |
Description: | Diethylmaleate, a glutathione-depleting compound, is the diethyl ester of maleic acid and inhibits NF-kB. It is used as a reagent in the synthesis of several organic compounds including that of polyaspartic acid ester based polyurea coatings. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | CCOC(=O)C=CC(=O)OCC |
InChI: | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- |
InChI Key: | IEPRKVQEAMIZSS-WAYWQWQTSA-N |
Boiling Point: | 223 °C |
Melting Point: | -8.8 °C |
Flash Point: | 107 °C |
Purity: | 99.07 % |
Density: | 1.0690 g/cm3 |
Solubility: | 1.40E+04 mg/L at 30 °C (exp) |
Appearance: | Colourless liquid |
Storage: | Store in a cool and dry place (or refer to the Certificate of Analysis). |
MDL: | MFCD00009191 |
LogP: | 0.66880 |
Refractive Index: | 1.44 |
GHS Hazard Statement: | H317 (99.03%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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US-2021179903-A1 | Adhesive produced using aspartate-terminated prepolymers | 20191211 |
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PMID | Publication Date | Title | Journal |
33545341 | 20210601 | Systematic transcriptome-based comparison of cellular adaptive stress response activation networks in hepatic stem cell-derived progeny and primary human hepatocytes | Toxicology in vitro : an international journal published in association with BIBRA |
34021431 | 20210522 | Stimulation of de novo glutathione synthesis by nitrofurantoin for enhanced resilience of hepatocytes | Cell biology and toxicology |
33301901 | 20210301 | Pre-validation of SENS-IS assay for in vitro skin sensitization of medical devices | Toxicology in vitro : an international journal published in association with BIBRA |
31958493 | 20200401 | Mechanistic understanding of dendritic cell activation in skin sensitization: additional evidences to support potency classification | Toxicology letters |
29064635 | 20180301 | Voltage-sensitive sodium channel mutations S989P + V1016G in Aedes aegypti confer variable resistance to pyrethroids, DDT and oxadiazines | Pest management science |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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