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

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

GRADE & PURITY ≥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

Visão geral

Descrição do produto

a 1-Adamantilmetilcetona, um substrato cetónico estericamente volumoso, foi reduzida ao álcool correspondente com excelente pureza ótica.

Aplicação do produto
A1-Adamantilmetilcetona é utilizada como matéria-prima importante e intermediária em síntese orgânica, produtos farmacêuticos, agroquímicos e corantes.

Specifications

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 |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488187720

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol- very faint turbidity. Insoluble in water.
• Ponto de inflamação (°F): 226.4 °F
• Ponto de inflamação (°C): 108 °C
• Ponto de fusão (°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

Perguntas frequentes

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.