γ-Methylene-γ-butyrolactone - ≥98%(GC) , CAS No.10008-73-8

CAS: 10008-73-8 Cat. No.: G156821 Peso molecular: 98.1 Beilstein Registry Number: 1560870 Número EC: 233-004-8

GRADE & PURITY ≥98%(GC)

Synonyms

Q27116832 | 4-PENTEN-4-OLIDE | 2(3H)-Furanone, dihydro-5-methylene- | gamma-Methylene-gamma-butyrolactone | alpha'-angelica lactone | M1385 | .gamma.-methylen-.gamma.-butyrolactone | 5-methylideneoxolan-2-one | CHEBI:36439 | EINECS 233-004-8 | ?-Methylene

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27116832 | 4-PENTEN-4-OLIDE | 2(3H)-Furanone, dihydro-5-methylene- | gamma-Methylene-gamma-butyrolactone | alpha'-angelica lactone | M1385 | .gamma.-methylen-.gamma.-butyrolactone | 5-methylideneoxolan-2-one | CHEBI:36439 | EINECS 233-004-8 | ?-Methylene

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=C1CCC(=O)O1
• IUPAC Name: 5-methylideneoxolan-2-one
• InChIKey: SIFBVNDLLGPEKT-UHFFFAOYSA-N
• INCHI: 1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2
• Isómeros SMILES: C=C1CCC(=O)O1
• WGK Alemania: 3
• Peso molecular: 98.1
• Beilstein: 1560870
• Reaxy-Rn: 1560870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Enol esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Enol ester - Lactone - 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
• Descripción: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• External Descriptors: gamma-lactone - butan-4-olide

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.47
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 77°C(lit.)
• Peso molecular: 98.100 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 98.0368 Da
• Monoisotopic Mass: 98.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 115.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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