γ-Caprolactone - 10mM in DMSO , CAS No.695-06-7

CAS: 695-06-7 Cat. No.: C425565 Fórmula: C₆H₁₀O₂ Peso molecular: 114.14 Beilstein Registry Number: 6114822 Número EC: 211-778-8

CALIDAD & PUREZA 10mM in DMSO

Synonyms

.GAMMA.-LACTONE | gamma-Hexalactone | Tonkalide | (+/-)-4-ETHYLBUTYROLACTONE | 4-Ethylbutanolide | AI3-36655 | Hexanoic acid, .gamma.-lactone | FT-0701250 | gamma-Ethylbutyrolactone | NCGC00254779-01 | SCHEMBL36360 | Tox21_300875 | gamma-Hexanolactone | .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

.GAMMA.-LACTONE | gamma-Hexalactone | Tonkalide | (+/-)-4-ETHYLBUTYROLACTONE | 4-Ethylbutanolide | AI3-36655 | Hexanoic acid, .gamma.-lactone | FT-0701250 | gamma-Ethylbutyrolactone | NCGC00254779-01 | SCHEMBL36360 | Tox21_300875 | gamma-Hexanolactone | .

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

528769190

Sonrisas canónicas

CCC1CCC(=O)O1

IUPAC Name

5-ethyloxolan-2-one

InChIKey

JBFHTYHTHYHCDJ-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3

Isómeros SMILES

CCC1CCC(=O)O1

WGK Alemania

2

RTECS

LU4220000

Peso molecular

114.14

Beilstein

6114822

Reaxy-Rn

107260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107260&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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: Lactones

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: 1.439
• Punto de inflamación (°F): 208.4 °F
• Punto de inflamación (°C): 98 °C
• Punto de ebullición (°C): 219°C
• Peso molecular: 114.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.700
• 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