1-Acetyladamantane - ≥98%(GC) , CAS No.1660-04-4

CAS: 1660-04-4 Cat. No.: A151183 Fórmula: C₁₂H₁₈O Peso molecular: 178.28 Número EC: 216-761-9

CALIDAD & PUREZA ≥98%(GC)

Synonyms

1-(1-Adamantyl)ethanone | AM84568 | Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl- | Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl- | AC-11126 | Methyl adamantyl-1 ketone | 1-(adamantan-1-yl)ethanone | 1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone | 1-Acetyladamantane |

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Description

1-Adamantyl methyl ketone, a sterically bulky ketone substrate, was reduced to the corresponding alcohol with excellent optical purity.

Product Application
1-Adamantyl methyl ketone, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Especificaciones

Sinónimos

1-(1-Adamantyl)ethanone | AM84568 | Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl- | Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl- | AC-11126 | Methyl adamantyl-1 ketone | 1-(adamantan-1-yl)ethanone | 1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone | 1-Acetyladamantane |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488187720

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187720

Sonrisas canónicas

CC(=O)C12CC3CC(C1)CC(C3)C2

IUPAC Name

1-(1-adamantyl)ethanone

InChIKey

DACIGVIOAFXPHW-UHFFFAOYSA-N

INCHI

1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3

Isómeros SMILES

CC(=O)C12CC3CC(C1)CC(C3)C2

WGK Alemania

3

Peso molecular

178.28

Reaxy-Rn

388439

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

• Solubilidad: Soluble in methanol- very faint turbidity. Insoluble in water.
• Punto de inflamación (°F): 226.4 °F
• Punto de inflamación (°C): 108 °C
• Punto de fusión (°C): 54 °C
• Peso molecular: 178.270 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.136 Da
• Monoisotopic Mass: 178.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 213.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 1660-04-4, the molecular formula is C12H18O, and the molecular weight is 178.28 g/mol. InChIKey DACIGVIOAFXPHW-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.