cis-1,2-Cyclooctanediol - ≥98% , CAS No.27607-33-6

CAS: 27607-33-6 Cat. No.: C346997 Fórmula: C₈H₁₆O₂ Peso molecular: 144.21 Número EC: 626-469-7

GRADE & PURITY ≥98%

Synonyms

cis-1,2-Cyclooctanediol | cis-1,2-cyclo-octanediol | cis-1,2-Cyclooctanediol, 99% | 1,2-Cyclooctanediol, (1R,2S)-rel- | (1R*,2S*)-1,2-Cyclooctanediol | SCHEMBL371486 | (1R,2S)-CYCLOOCTANE-1,2-DIOL | AS-76775 | MFCD00134226 | AKOS015915801 | Cis-cyclooctan

Storage

Room temperature

Shipped In

Normal

Descripción general

cis-1,2-Cyclooctanediol is a 1,2-disubstituted acyclic ethylene glycol used to prepare suberic acid. It can undergo cyclocondensation with oxalyl chloride in the presence of triethylamine at 0°C to yield cyclic oxalate.

Specifications

Sinónimos

cis-1,2-Cyclooctanediol | cis-1,2-cyclo-octanediol | cis-1,2-Cyclooctanediol, 99% | 1,2-Cyclooctanediol, (1R,2S)-rel- | (1R*,2S*)-1,2-Cyclooctanediol | SCHEMBL371486 | (1R,2S)-CYCLOOCTANE-1,2-DIOL | AS-76775 | MFCD00134226 | AKOS015915801 | Cis-cyclooctan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196887
• Sonrisas canónicas: C1CCCC(C(CC1)O)O
• IUPAC Name: (1R,2S)-cyclooctane-1,2-diol
• InChIKey: HUSOFJYAGDTKSK-OCAPTIKFSA-N
• INCHI: 1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8+
• Isómeros SMILES: C1CCC[C@@H]([C@@H](CC1)O)O
• Peso molecular: 144.21
• Reaxy-Rn: 2071372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2071372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

• Punto de fusión (°C): 78-80° C (lit.)
• Peso molecular: 144.210 g/mol
• XLogP3: 1.300
• 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: 81.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 27607-33-6, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey HUSOFJYAGDTKSK-OCAPTIKFSA-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.