(S)-(-)-α-Hydroxy-γ-butyrolactone - ≥95% , CAS No.52079-23-9

CAS: 52079-23-9 Cat. No.: S161076 Fórmula: C₄H₆O₃ Peso molecular: 102.09

GRADE & PURITY ≥95%

Synonyms

(2E)-3-(2,6-Dichlorophenyl)-2-propenoic acid # | Q27268295 | (3S)-3-Hydroxydihydro-2(3H)-furanone | (3S)-dihydro-3-hydroxy-2(3H)-furanone | 2-HYDROXY-.GAMMA.-BUTYROLACTONE, (-)- | (S)-(-)-alpha-Hydroxy-gamma-butyrolactone, 97%, optical purity ee: 96% (GLC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2E)-3-(2,6-Dichlorophenyl)-2-propenoic acid # | Q27268295 | (3S)-3-Hydroxydihydro-2(3H)-furanone | (3S)-dihydro-3-hydroxy-2(3H)-furanone | 2-HYDROXY-.GAMMA.-BUTYROLACTONE, (-)- | (S)-(-)-alpha-Hydroxy-gamma-butyrolactone, 97%, optical purity ee: 96% (GLC

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504758585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758585
• Sorrisos canónicos: C1COC(=O)C1O
• IUPAC Name: (3S)-3-hydroxyoxolan-2-one
• InChIKey: FWIBCWKHNZBDLS-VKHMYHEASA-N
• INCHI: 1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2/t3-/m0/s1
• SMILES isoméricas: C1COC(=O)[C@H]1O
• WGK Alemanha: 3
• Peso molecular: 102.09
• Reaxy-Rn: 80587
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80587&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 Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.467
• Ponto de inflamação (°F): >235.4 °F
• Ponto de inflamação (°C): >113 °C
• Ponto de ebulição (°C): 133 °C/10 mmHg (lit.)
• Peso molecular: 102.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 52079-23-9, the molecular formula is C4H6O3, and the molecular weight is 102.09 g/mol. InChIKey FWIBCWKHNZBDLS-VKHMYHEASA-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.