Diethyl Succinate - CAS 123-25-1
Catalog: |
BB005650 |
Product Name: |
Diethyl Succinate |
CAS: |
123-25-1 |
Synonyms: |
butanedioic acid diethyl ester; diethyl butanedioate |
Application: |
This product is suitable for scientific research. |
IUPAC Name: | diethyl butanedioate |
Description: | Diethyl Succinate (CAS# 123-25-1) is a diester molecule present naturally in plant and animal tissues. Used commonly in fragrances and food flavourings. |
Molecular Weight: | 174.19 |
Molecular Formula: | C8H14O4 |
Canonical SMILES: | CCOC(=O)CCC(=O)OCC |
InChI: | InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 |
InChI Key: | DKMROQRQHGEIOW-UHFFFAOYSA-N |
Boiling Point: | 218 °C (lit.) |
Melting Point: | -20 °C |
Flash Point: | 195 °F |
Purity: | > 99.0 % (GC) |
Density: | 1.047 g/mL at 25 °C (lit.) |
Solubility: | 0.11 M;19.1 mg/mL at 25 °C;19.1 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.2;1 mL in 50 mL water; miscible in alcohol, ether, oils |
Appearance: | Colorless to almost colorless clear liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00009208 |
LogP: | 0.89280 |
Quality Standard: | 100 |
Refractive Index: | n20/D 1.42(lit.) |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.126mmHg at 25°C |
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PMID | Publication Date | Title | Journal |
22120647 | 20120301 | Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition | Journal of industrial microbiology & biotechnology |
22805835 | 20120301 | Impact of different malolactic fermentation inoculation scenarios on Riesling wine aroma | World journal of microbiology & biotechnology |
22146049 | 20120118 | Real-time molecular imaging of tricarboxylic acid cycle metabolism in vivo by hyperpolarized 1-(13)C diethyl succinate | Journal of the American Chemical Society |
22265473 | 20120115 | Effectiveness of high-throughput miniaturized sorbent- and solid phase microextraction techniques combined with gas chromatography-mass spectrometry analysis for a rapid screening of volatile and semi-volatile composition of wines--a comparative study | Talanta |
22393353 | 20120101 | Biodiversity of indigenous Saccharomyces populations from old wineries of south-eastern Sicily (Italy): preservation and economic potential | PloS one |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.08920892 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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