ε-Caprolactone - ≥97% , CAS No.502-44-3

CAS: 502-44-3 Cat. No.: C398060 Formule: C₆H₁₀O₂ Poids moléculaire: 114.14 Beilstein Registry Number: 106919 Numéro CE: 207-938-1

QUALITÉ & PURETÉ ≥97%

Synonyms

oxepan-2-one|Epsilon-caprolactone|CAPROLACTONE|6-Hexanolactone|502-44-3|2-Oxepanone|Hexan-6-olide|hexano-6-lactone|6-Hexanolide|1-Oxa-2-oxocycloheptane|1,6-Hexanolide|E-Caprolactone|Placcel M|epsilon-Caprolactone monomer|2-Oxacycloheptanone|24980-41-4|6-H

Storage

Room temperature,Desiccated

Shipped In

Normal

Spécifications

Synonymes

oxepan-2-one | Epsilon-caprolactone | CAPROLACTONE | 6-Hexanolactone | 502-44-3 | 2-Oxepanone | Hexan-6-olide | hexano-6-lactone | 6-Hexanolide | 1-Oxa-2-oxocycloheptane | 1,6-Hexanolide | E-Caprolactone | Placcel M | epsilon-Caprolactone monomer | 2-Oxacycloheptanone | 24980-41-4 | 6-H

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508811330

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811330

Sourires canoniques

C1CCC(=O)OCC1

IUPAC Name

oxepan-2-one

InChIKey

PAPBSGBWRJIAAV-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

Isomères SMILES

C1CCC(=O)OCC1

WGK Allemagne

2

RTECS

MO8400000

Poids moléculaire

114.14

Beilstein

106919

Reaxy-Rn

106919

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lactones
• Alternative Parents: Oxepanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactone - Oxepane - 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
• Description: This compound belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
• External Descriptors: a small molecule

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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (>1 mg/ml at 20 °C), ethanol, acetone, and diethyl ether.
• Indice de réfraction: 1.462-1.464
• Point d'éclair (°F): 228.2 °F
• Point d'éclair (°C): 109℃
• Point d'ébullition (°C): 140 °C/35 mmHg
• Point de fusion (°C): -1°C
• Poids moléculaire: 114.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• 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: 88.500
• 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