cis-1,5-Cyclooctanediol - ≥98% , CAS No.23418-82-8

CAS: 23418-82-8 Cat. No.: C472357 Fórmula: C₈H₁₄(OH)₂ Peso molecular: 144.21 Número EC: 245-649-2

GRADE & PURITY ≥98%

Synonyms

1,5-Cyclooctanediol | EINECS 245-649-2 | 1,5-Cyclooctanediol # | cis-1,5-Cyclooctanediol | EN300-42016 | cis-1,5-Cyclooctanediol,98% | AMY15512 | DTXSID30177971 | SCHEMBL328907 | (1S,5S)-CYCLOOCTANE-1,5-DIOL | cis-Cyclooctane-1,5-diol | LS-12824 | J-01510

Storage

Room temperature

Descripción general

Description

cis-1,5-Cyclooctanediol was used in the synthesis ofcis-1,5-diaminocyclooctane.

Specifications

Sinónimos

1,5-Cyclooctanediol | EINECS 245-649-2 | 1,5-Cyclooctanediol # | cis-1,5-Cyclooctanediol | EN300-42016 | cis-1,5-Cyclooctanediol,98% | AMY15512 | DTXSID30177971 | SCHEMBL328907 | (1S,5S)-CYCLOOCTANE-1,5-DIOL | cis-Cyclooctane-1,5-diol | LS-12824 | J-01510

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1CC(CCCC(C1)O)O

IUPAC Name

cyclooctane-1,5-diol

InChIKey

BDNXUVOJBGHQFD-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c9-7-3-1-4-8(10)6-2-5-7/h7-10H,1-6H2

Isómeros SMILES

C1CC(CCCC(C1)O)O

WGK Alemania

3

Peso molecular

144.21

Reaxy-Rn

1921458

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1921458&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Peso molecular: 144.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 73.300
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23418-82-8, the molecular formula is C8H14(OH)2, and the molecular weight is 144.21 g/mol. InChIKey BDNXUVOJBGHQFD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.