β-Butyrolactone

Product Information

Molecular Formula:
C4H6O2
Molecular Weight:
86.09
Description
β-Butyrolactone (CAS# 3068-88-0) is a chemical reagent used in the synthesis of polyurethanes and polar monomers.
Synonyms
4-methyloxetan-2-one
IUPAC Name
4-methyloxetan-2-one
Canonical SMILES
CC1CC(=O)O1
InChI
InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
InChI Key
GSCLMSFRWBPUSK-UHFFFAOYSA-N
Boiling Point
87 °C / 50 mmHg
Melting Point
-44 °C
Flash Point
60 °C
Purity
> 95.0 % (GC)
Density
1.056 g/cm3
Solubility
greater than or equal to 100 mg/mL at 73 °F
Appearance
Clear colorless liquid with an acetone-like odor.
LogP
0.32180
Vapor Pressure
0.5 mmHg at 108 °F ; 5.5 mmHg at 124 °F; 18.5 mmHg at 163 °F

Safety Information

Hazards
H226:
Flammable liquid and vapour.
H315:
Causes skin irritation.
H341:
Suspected of causing genetic defects.
H351:
Suspected of causing cancer.
Precautionary Statement
P201, P202, P210, P233, P240, P241, P242, P243, P264, P280, P281, P302+P352, P303+P361+P353, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
86.036779430 g/mol
Monoisotopic Mass
86.036779430 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
77.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114106299-A Preparation method of lactone and lactide block copolymer 2021-12-31
JP-3236461-U Photosensitive resin composition for sandblasting 2021-12-21
CN-114015030-A Application of L-ascorbic acid and/or L-sodium ascorbate as catalyst for catalyzing ring-opening polymerization reaction of lactone or lactide 2021-12-09
CN-113845587-A Synthetic method of bivalirudin 2021-12-01
CN-113845587-B Synthetic method of bivalirudin 2021-12-01
CN-114085777-A Method for screening and identifying high-yield polyhydroxybutyrate strain 2021-11-13
CN-113773474-A Synthetic method of poly beta-hydroxybutyrate 2021-10-21
CN-113813939-A Application of COF material based on C = C bond connection in preparation of chiral chromatography stationary phase 2021-10-14
CN-113736075-A Preparation method of polylactone 2021-08-31
CN-113582928-A Amino-phenol-oxygen-group zinc complex containing (substituted) pyrazole ring and preparation method and application thereof 2021-08-26

Literatures

PMID Publication Date Title Journal
22669203 2012-07-11 Highly controlled immortal polymerization of β-butyrolactone by a dinuclear indium catalyst Chemical communications (Cambridge, England)
21433143 2011-01-17 Supported neodymium catalysts for isoprene and rac-β-butyrolactone polymerization: modulation of reactivity by controlled grafting Macromolecular rapid communications
20875763 2010-12-01 Demixing of severely overlapped ¹H NMR resonances and interpretation of anomalous intensity pattern of dipolar coupled A₃ spins in a weakly aligning medium Journal of magnetic resonance (San Diego, Calif. : 1997)
20424735 2010-09-28 Metal-catalyzed immortal ring-opening polymerization of lactones, lactides and cyclic carbonates Dalton transactions (Cambridge, England : 2003)
20677823 2010-08-25 Carbonylative polymerization of propylene oxide: a multicatalytic approach to the synthesis of poly(3-hydroxybutyrate) Journal of the American Chemical Society
20631952 2010-08-07 Group 3 metal complexes supported by tridentate pyridine- and thiophene-linked bis(naphtholate) ligands: synthesis, structure, and use in stereoselective ring-opening polymerization of racemic lactide and beta-butyrolactone Dalton transactions (Cambridge, England : 2003)
20685978 2010-08-04 Basolateral amygdala cdk5 activity mediates consolidation and reconsolidation of memories for cocaine cues The Journal of neuroscience : the official journal of the Society for Neuroscience
20126703 2010-02-21 Polymerization of racemic beta-butyrolactone using supported catalysts: a simple access to isotactic polymers Chemical communications (Cambridge, England)
20023847 2010-01-01 Stereocontrolled ring-opening polymerization of cyclic esters: synthesis of new polyester microstructures Chemical Society reviews
19885529 2009-11-28 Versatile catalytic systems based on complexes of zinc, magnesium and calcium supported by a bulky bis(morpholinomethyl)phenoxy ligand for the large-scale immortal ring-opening polymerisation of cyclic esters Dalton transactions (Cambridge, England : 2003)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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