α-Methyl-γ-butyrolactone - ≥98%(GC) , CAS No.1679-47-6

CAS: 1679-47-6 Cat. No.: A151225 Formula: C₅H₈O₂ Peso molecolare: 100.12 Beilstein Registry Number: 80418 Numero EC: 216-846-0

GRADE & PURITY ≥98%(GC)

Synonyms

4-Hydroxy-2-methylbutyric acid lactone | .alpha.-Methylbutyrolactone | 2(3H)-Furanone, dihydromethyl- | 2-Methyl-laquo gammaRaquo -butyrolactone | 4,5-Dihydro-3-methyl-2(3H)-furanone | 140H0G0P5W | CHEBI:36806 | NSC 102837 | Pavinetant [USAN] | 5-(4,6-Dim

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

α-Methyl-γ-butyrolactone undergoes benzylation to give racemic α-benzyl-α-methyl-γ-butyrolactone.

α-Methyl-γ-butyrolactone was used as model compound in Bracketing experiments to investigate the thermodynamically favored site of reaction of pilocarpine

Specifications

Sinonimi

4-Hydroxy-2-methylbutyric acid lactone | .alpha.-Methylbutyrolactone | 2(3H)-Furanone, dihydromethyl- | 2-Methyl-laquo gammaRaquo -butyrolactone | 4,5-Dihydro-3-methyl-2(3H)-furanone | 140H0G0P5W | CHEBI:36806 | NSC 102837 | Pavinetant [USAN] | 5-(4,6-Dim

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488187117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187117
• Sorrisi canonici: CC1CCOC1=O
• IUPAC Name: 3-methyloxolan-2-one
• InChIKey: QGLBZNZGBLRJGS-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
• Isomeri SMILES: CC1CCOC1=O
• WGK Germania: 3
• Peso molecolare: 100.12
• Beilstein: 80418
• Reaxy-Rn: 80418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80418&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - 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
• Descrizione: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• External Descriptors: Not available

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

Obiettivi associati (umani)

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

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

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.432
• Punto di infiammabilità (°C): 72 °C
• Punto di ebollizione (°C): 78-81 °C/10 mmHg
• Peso molecolare: 100.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.100
• 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

Domande frequenti

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1679-47-6, the molecular formula is C5H8O2, and the molecular weight is 100.12 g/mol. InChIKey QGLBZNZGBLRJGS-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.