β-Butyrolactone - ≥95%(GC) , CAS No.3068-88-0

CAS: 3068-88-0 Cat. No.: B152852 Formule: C₄H₆O₂ Poids moléculaire: 86.09 Beilstein Registry Number: 17(1)130 Numéro CE: 221-330-3

GRADE & PURITY ≥95%(GC)

Synonyms

4-Methyl-2-oxetanone;β-Methylpropiolactone | beta-Butyrolactone | β-Methyl-β-propiolactone | 3-Hydroxybutyric acid β-lactone

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

β-Butyrolactone undergoes ring opening polymerization in the presence of ethoxy-bridged dinuclear indium catalyst to yield biodegradable polyester poly(hydroxybutyrate). Polymerization of racemic β-butyrolactone in the presence of chiral initiators has been reported. It is versatile building block for organic synthesis.
Application：
β-Butyrolactone was used in the preparation of (3-O-[oligo-(3-hydroxybutyrate ester)] fluorescein, fluorescein derivative of poly(3-hydroxybutyrate) via anionic polymerization.

Specifications

Synonymes

4-Methyl-2-oxetanone;β-Methylpropiolactone | beta-Butyrolactone | β-Methyl-β-propiolactone | 3-Hydroxybutyric acid β-lactone

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

• Pubchem Sid: 504752877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752877
• Sourires canoniques: CC1CC(=O)O1
• IUPAC Name: 4-methyloxetan-2-one
• InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
• Isomères SMILES: CC1CC(=O)O1
• WGK Allemagne: 3
• RTECS: RQ8050000
• Numéro ONU: 1993
• Groupe d'emballage: I
• Poids moléculaire: 86.09
• Beilstein: 17(1)130
• Reaxy-Rn: 105214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones
      • Subclass Beta propiolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Beta propiolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta propiolactones
• Alternative Parents: Oxetanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Beta_propiolactone - Oxetane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as beta propiolactones. These are organic compounds containing a four-member lactone (a cyclic ester).
• External Descriptors: beta-lactone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 268 g/l in water (25 °C)
• Point de congélation (°C): 1.411
• Indice de réfraction: 1.41
• Point d'éclair (°F): 140 °F
• Point d'éclair (°C): 60°C
• Point d'ébullition (°C): 71-73 °C/29 mmHg
• Point de fusion (°C): -43.5°C
• Poids moléculaire: 86.090 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 77.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Tao Yang, Wenzhi Li, Mingxue Su, Yang Liu, Minghou Liu.  (2020)  Production of furfural from xylose catalyzed by a novel calcium gluconate derived carbon solid acid in 1,4-dioxane.  NEW JOURNAL OF CHEMISTRY,  44  (19): (7968-7975).  [PMID:] [10.1039/D0NJ00619J]

2. Yulu He, Ruojin Shen, Lupeng Shao, Chao Wang, Guihua Yang, Feng Xu.  (2024)  Efficient binary diol-based deep eutectic solvent pretreatment for enhancing enzymatic saccharification and lignin fractionation from eucalyptus.  BIORESOURCE TECHNOLOGY,      [PMID:39236906] [10.1016/j.biortech.2024.131423]

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3068-88-0, the molecular formula is C4H6O2, and the molecular weight is 86.09 g/mol. InChIKey GSCLMSFRWBPUSK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.