9-Heptadecanone - ≥98%(GC) , CAS No.540-08-9

CAS: 540-08-9 Cat. No.: H156949 Fórmula: C₁₇H₃₄O Peso molecular: 254.46 Número CE: 208-734-5

GRADE & PURITY ≥98%(GC)

Synonyms

bis-octyl ketone | DTXSID50202310 | H0536 | SY049595 | Dioctyl ketone | 9-HEPTADECANONE | AKOS009031334 | AS-56674 | EINECS 208-734-5 | SCHEMBL342685 | Dioctylketone | EN300-21560 | LMFA12000196 | NSC7336 | NSC-7336 | BRN 1707117 | C17H34O | 4-01-00-03396

Storage

Room temperature

Shipped In

Normal

Application

228,229

Specifications

Sinónimos

bis-octyl ketone | DTXSID50202310 | H0536 | SY049595 | Dioctyl ketone | 9-HEPTADECANONE | AKOS009031334 | AS-56674 | EINECS 208-734-5 | SCHEMBL342685 | Dioctylketone | EN300-21560 | LMFA12000196 | NSC7336 | NSC-7336 | BRN 1707117 | C17H34O | 4-01-00-03396

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488181212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181212
• Sorrisos canónicos: CCCCCCCCC(=O)CCCCCCCC
• IUPAC Name: heptadecan-9-one
• InChIKey: WTJKUFMLQFLJOT-UHFFFAOYSA-N
• INCHI: 1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
• SMILES isoméricas: CCCCCCCCC(=O)CCCCCCCC
• RTECS: MI3925000
• Peso molecular: 254.46
• Reaxy-Rn: 1707117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707117&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 acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic 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: Oxygenated hydrocarbons

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in toluene. Insoluble in water.
• Ponto de ebulição (°C): 250-253°C
• Ponto de fusão (°C): 54 °C
• Peso molecular: 254.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.261 Da
• Monoisotopic Mass: 254.261 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 156.000
• 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 540-08-9, the molecular formula is C17H34O, and the molecular weight is 254.46 g/mol. InChIKey WTJKUFMLQFLJOT-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.