Polycaprolactone（PCL） - Mn=80000~100000 , CAS No.24980-41-4

CAS: 24980-41-4 Cat. No.: P579406 Summenformel: (C₆H₁₀O₂)n EG-Nummer: 680-397-0

GRADE & PURITY Mn=80000~100000

Synonyms

Hexanoic acid, 6-hydroxy-, lactone | 1219802-08-0 | e-Caprolactone--d6 | UNII-56RE988L1R | Hexanoic acid, 6-hydroxy-, .epsilon.-lactone | MFCD00084404 | Oxepan-2-one; Epsilon-Caprolactone | 1,6-Hexanolide | CHEBI:17915 | 2-Oxepanone | 6-Hydroxycaproic aci

Storage

Room temperature

Shipped In

Normal

Übersicht

Polycaprolactone may find use as an extrusion aid, die lubricant, mold release, pigment and filler dispersion aid and polyester segments in urethanes and block polyesters.

Specifications

Synonyme

Hexanoic acid, 6-hydroxy-, lactone | 1219802-08-0 | e-Caprolactone--d6 | UNII-56RE988L1R | Hexanoic acid, 6-hydroxy-, .epsilon.-lactone | MFCD00084404 | Oxepan-2-one; Epsilon-Caprolactone | 1,6-Hexanolide | CHEBI:17915 | 2-Oxepanone | 6-Hydroxycaproic aci

Spezifikationen & Reinheit

Mn=80000~100000

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

504751941

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751941

Kanonisches Lächeln

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

Isomere SMILES

C1CCC(=O)OCC1

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
    • Klasse Lactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Sensitive to humidity
• Flammpunkt (°C): > 110°C
• Schmelzpunkt (°C): 60°C
• Molekulargewicht: 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