4-Hydroxycyclohexanone - ≥98% , CAS No.13482-22-9

CAS: 13482-22-9 Cat. No.: H190648 Fórmula: C₆H₁₀O₂ Peso molecular: 114.14 Número EC: 620-210-1

GRADE & PURITY ≥98%

Synonyms

MFCD02093817 | 4-hydroxycyclohexan-1-one | 4-hydroxycyclohexanon | 1-Hydroxy-4-oxocyclohexane | 4-Hydroxy Cyclohexanone-d4 | 4-Hydroxy-cyclohexanone | 4-Hydroxy Cyclohexanone | Cyclohexanone, 4-hydroxy- | p-Hydroxycyclohexanone

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD02093817 | 4-hydroxycyclohexan-1-one | 4-hydroxycyclohexanon | 1-Hydroxy-4-oxocyclohexane | 4-Hydroxy Cyclohexanone-d4 | 4-Hydroxy-cyclohexanone | 4-Hydroxy Cyclohexanone | Cyclohexanone, 4-hydroxy- | p-Hydroxycyclohexanone

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190213
• Sonrisas canónicas: C1CC(=O)CCC1O
• IUPAC Name: 4-hydroxycyclohexan-1-one
• InChIKey: BXBJZYXQHHPVGO-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2
• Isómeros SMILES: C1CC(=O)CCC1O
• Peso molecular: 114.14
• Reaxy-Rn: 2237704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2237704&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: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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: 114.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 88.700
• 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

How should this product be stored?

Store at room temperature.

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 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 13482-22-9, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey BXBJZYXQHHPVGO-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.