bicyclo[2.2.2]octane-1,4-diol - ≥97% , CAS No.1194-44-1

CAS: 1194-44-1 Cat. No.: B627254 Fórmula: C₈H₁₄O₂ Peso molecular: 142.2 Número CE: 103-420-3 PubChem CID: 559236

GRADE & PURITY ≥97%

Synonyms

AS-78403 | SCHEMBL9306212 | MFCD00213487 | Bicyclo[2.2.2]octane-1,4-diol | 1,4-bicyclo[2.2.2]octane diol | BHSZKPHKWKSMKX-UHFFFAOYSA-N | P18815 | 1,4-Dihydroxybicyclo[2.2.2]octane | BICYCLO(2.2.2)OCTANE-1,4-DIOL | AKOS024337711 | DTXSID80339865

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-78403 | SCHEMBL9306212 | MFCD00213487 | Bicyclo[2.2.2]octane-1,4-diol | 1,4-bicyclo[2.2.2]octane diol | BHSZKPHKWKSMKX-UHFFFAOYSA-N | P18815 | 1,4-Dihydroxybicyclo[2.2.2]octane | BICYCLO(2.2.2)OCTANE-1,4-DIOL | AKOS024337711 | DTXSID80339865

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1CC2(CCC1(CC2)O)O
• IUPAC Name: bicyclo[2.2.2]octane-1,4-diol
• InChIKey: BHSZKPHKWKSMKX-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c9-7-1-2-8(10,5-3-7)6-4-7/h9-10H,1-6H2
• SMILES isoméricas: C1CC2(CCC1(CC2)O)O
• CAS alternativo: 1194-44-1
• PubChem CID: 559236
• Peso molecular: 142.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Propriedades químicas e físicas

• Peso molecular: 142.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 1194-44-1, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey BHSZKPHKWKSMKX-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.