α-Methylene-γ-butyrolactone - CAS 547-65-9
Catalog: |
BB028814 |
Product Name: |
α-Methylene-γ-butyrolactone |
CAS: |
547-65-9 |
Synonyms: |
3-methylideneoxolan-2-one |
IUPAC Name: | 3-methylideneoxolan-2-one |
Description: | α-Methylene-γ-butyrolactone (CAS# 547-65-9) is a useful research chemical. |
Molecular Weight: | 98.10 |
Molecular Formula: | C5H6O2 |
Canonical SMILES: | C=C1CCOC1=O |
InChI: | InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2 |
InChI Key: | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
Boiling Point: | 90 °C / 13 mmHg |
Flash Point: | 90 °C |
Purity: | > 95.0 % (GC) |
Density: | 1.119 g/mL at 25 °C(lit.) |
Appearance: | Colorless to light yellow clear liquid |
Storage: | 0-10 °C |
MDL: | MFCD00005407 |
LogP: | 0.48950 |
Refractive Index: | n20/D 1.472(lit.) |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P313, P363, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22985027 | 20121025 | Guaianolide sesquiterpene lactones, a source to discover agents that selectively inhibit acute myelogenous leukemia stem and progenitor cells | Journal of medicinal chemistry |
22614678 | 20120814 | Lewis pair polymerization by classical and frustrated Lewis pairs: acid, base and monomer scope and polymerization mechanism | Dalton transactions (Cambridge, England : 2003) |
22734694 | 20120711 | Enantioselective conversion of primary alcohols to α-exo-methylene γ-butyrolactones via iridium-catalyzed C-C bond-forming transfer hydrogenation: 2-(alkoxycarbonyl)allylation | Journal of the American Chemical Society |
22217935 | 20120701 | Allergic contact dermatitis to plants: understanding the chemistry will help our diagnostic approach | Actas dermo-sifiliograficas |
22526727 | 20120528 | Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone | Organic & biomolecular chemistry |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.036779430 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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