α-Methyl-γ-butyrolactone - CAS 1679-47-6
Catalog: |
BB012435 |
Product Name: |
α-Methyl-γ-butyrolactone |
CAS: |
1679-47-6 |
Synonyms: |
3-methyloxolan-2-one |
IUPAC Name: | 3-methyloxolan-2-one |
Description: | α-Methyl-γ-butyrolactone (CAS# 1679-47-6) is a useful research chemical. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | CC1CCOC1=O |
InChI: | InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3 |
InChI Key: | QGLBZNZGBLRJGS-UHFFFAOYSA-N |
Boiling Point: | 78 °C (10 torr) |
Purity: | 95 % |
Density: | 1.06 g/cm3 |
Solubility: | 9.381e+004 mg/L at 25 °C (est) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00005396 |
LogP: | 0.56940 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18210237 | 20071201 | Costunolide inhibits production of tumor necrosis factor-alpha and interleukin-6 by inducing heme oxygenase-1 in RAW264.7 macrophages | Inflammation research : official journal of the European Histamine Research Society ... [et al.] |
17391667 | 20070622 | The alpha-methylene-gamma-butyrolactone moiety in dehydrocostus lactone is responsible for cytoprotective heme oxygenase-1 expression through activation of the nuclear factor E2-related factor 2 in HepG2 cells | European journal of pharmacology |
15233843 | 20040702 | Effects of natural and chemically synthesized furanones on quorum sensing in Chromobacterium violaceum | BMC microbiology |
Complexity: | 88.1 |
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 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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