7-Tridecanone - ≥97%(GC) , CAS No.462-18-0

CAS: 462-18-0 Cat. No.: T162039 Formula: C₁₃H₂₆O Peso molecolare: 198.35 Beilstein Registry Number: 1715 Numero EC: 207-324-3 PubChem CID: 10015

GRADE & PURITY ≥97%(GC)

Synonyms

EN300-19771 | AI3-11050 | hexylcarbonylhexyl | 4-01-00-03315 (Beilstein Handbook Reference) | SCHEMBL36634 | Z104475286 | 7-Tridecanone | hexyl hexyl ketone | MFCD00009543 | Q27282559 | Di-n-hexyl ketone | Dihexyl ketone, 97% | L0RDD0T8DG | di-n-hexylketo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EN300-19771 | AI3-11050 | hexylcarbonylhexyl | 4-01-00-03315 (Beilstein Handbook Reference) | SCHEMBL36634 | Z104475286 | 7-Tridecanone | hexyl hexyl ketone | MFCD00009543 | Q27282559 | Di-n-hexyl ketone | Dihexyl ketone, 97% | L0RDD0T8DG | di-n-hexylketo

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488181076

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181076

Sorrisi canonici

CCCCCCC(=O)CCCCCC

IUPAC Name

tridecan-7-one

InChIKey

ULIAPOFMBCCSPE-UHFFFAOYSA-N

INCHI

1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3

Isomeri SMILES

CCCCCCC(=O)CCCCCC

WGK Germania

3

RTECS

YD4577000

PubChem CID

10015

Peso molecolare

198.35

Beilstein

1715

Reaxy-Rn

1757672

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 264 °C
• Punto di fusione (°C): 30 °C
• Peso molecolare: 198.340 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 198.198 Da
• Monoisotopic Mass: 198.198 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 115.000
• 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

Domande frequenti

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

This product is supplied at ≥97% 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 462-18-0, the molecular formula is C13H26O, and the molecular weight is 198.35 g/mol. InChIKey ULIAPOFMBCCSPE-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.