δ-Valerolactone - CAS 542-28-9
Catalog: |
BB028566 |
Product Name: |
δ-Valerolactone |
CAS: |
542-28-9 |
Synonyms: |
Tetrahydro-2H-pyran-2-one; Valeric acid, 5-hydroxy-, δ-lactone; 1-Oxacyclohexan-2-one; 2-Oxotetrahydropyran; 5-Hydroxypentanoic acid lactone; 5-Hydroxypentanoic acid δ-lactone; 5-Valerolactone; NSC 6247; Pentan-5-olide; Pentanoic acid, 5-hydroxy-, δ-lactone; Tetrahydro-2-pyranone; δ-Valeryllactone |
Related CAS: | 26354-94-9 (homopolymer) 2425576-33-4 (Deleted CAS)
|
IUPAC Name: | oxan-2-one |
Description: | δ-Valerolactone (tetrahydro-2H-2-pyranone or δ VL) can be used as a monomer unit in the synthesis of poly(δ-valerolactone)s poly(conjugated ester)s via ring-opening polymerization.It can also be used as a starting material in the synthesis of (+)-guadinomic acid , sodium δ-hydroxyvalerate , methyl δ-hydroxyvalerate , and 5-hydroxyvaleraldehyde. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | C1CCOC(=O)C1 |
InChI: | InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2 |
InChI Key: | OZJPLYNZGCXSJM-UHFFFAOYSA-N |
Boiling Point: | 219°C |
Melting Point: | -12.5°C |
Flash Point: | 233.6 °CF - closed cup |
Purity: | ≥95% |
Density: | 1.1130 g/cm3 |
Appearance: | Clear colorless to pale yellow liquid |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00006645 |
LogP: | 0.71350 |
Refractive Index: | n20/D 1.457 (lit.) |
GHS Hazard Statement: | H318 (99.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113336874-A | Inclusion compound of celecoxib and lactone modified sulfobutyl betacyclodextrin sodium and preparation method thereof | 20210805 |
CN-113372541-A | Recyclable polymer based on six-membered ring delta-valerolactone and preparation method thereof | 20210802 |
CN-113461916-A | Polylactic acid and stereocomplex elastomer thereof and preparation method | 20210730 |
CN-113467187-A | Resin composition, resin film and display device | 20210727 |
CN-113461924-A | Polyester block copolymer, one-pot synthesis method and application thereof | 20210713 |
PMID | Publication Date | Title | Journal |
22827565 | 20120821 | Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake | Analytical chemistry |
22349589 | 20120601 | Gamma butyrolactone (GBL) and gamma valerolactone (GVL): similarities and differences in their effects on the acoustic startle reflex and the conditioned enhancement of startle in the rat | Pharmacology, biochemistry, and behavior |
22530604 | 20120504 | Palladium-catalyzed synthesis of 4-oxaspiro[2.4]heptanes via central attack of oxygen nucleophiles to π-allylpalladium intermediates | Organic letters |
21779846 | 20120201 | Pseudomonas putida esterase contains a GGG(A)X-motif confering activity for the kinetic resolution of tertiary alcohols | Applied microbiology and biotechnology |
22137345 | 20120101 | 5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 78.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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