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 CE: 211-778-8

GRAU & 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

Especificações

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 | .

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

Pubchem Sid

528769190

Sorrisos canónicos

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

SMILES isoméricas

CCC1CCC(=O)O1

WGK Alemanha

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
    • 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
• 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: 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 ação

Propriedades químicas e físicas

• Índice de refração: 1.439
• Ponto de inflamação (°F): 208.4 °F
• Ponto de inflamação (°C): 98 °C
• Ponto de ebulição (°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