3-Ethyl-3-methyloxolane-2,5-dione - CAS 50598-33-9
Catalog: |
BB055180 |
Product Name: |
3-Ethyl-3-methyloxolane-2,5-dione |
CAS: |
50598-33-9 |
Synonyms: |
3-Ethyldihydro-3-methyl-2,5-furandione; 2-Ethyl-2-methylsuccinic anhydride |
IUPAC Name: | 3-ethyl-3-methyloxolane-2,5-dione |
Description: | 3-Ethyl-3-methyloxolane-2,5-dione was useful in studying the effect of sugar on liquid-vapor partition of volatile compounds in coffee beverages. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | CCC1(CC(=O)OC1=O)C |
InChI: | InChI=1S/C7H10O3/c1-3-7(2)4-5(8)10-6(7)9/h3-4H2,1-2H3 |
InChI Key: | HRMQFEOLGGKZLJ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
References: | Piccone, P., et al. J. Mass Spectrom., 47, 1120 (2012). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17572160 | 20070901 | On-line coupling of solid-phase extraction and capillary electrophoresis for the determination of cefoperazone and ceftiofur in plasma | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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