Valeroin - ≥97%(GC) , CAS No.6540-98-3

CAS: 6540-98-3 Cat. No.: V162928 Fórmula: C₁₀H₂₀O₂ Peso molecular: 172.27 PubChem CID: 110894

GRADE & PURITY ≥97%(GC)

Synonyms

6-Hydroxy-5-decanone # | ORLDHCIQVZTBQQ-UHFFFAOYSA-N | N-VALEROIN | A846403 | V0055 | SCHEMBL1295647 | 6-Hydroxy-5-decanone, AldrichCPR | FT-0721379 | Valeroin;4-hydroxydecan-5-one | 5-Decanone, 6-hydroxy- | 6-hydroxy-decan-5-one | 6-hydroxydecan-5-one |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-Hydroxy-5-decanone # | ORLDHCIQVZTBQQ-UHFFFAOYSA-N | N-VALEROIN | A846403 | V0055 | SCHEMBL1295647 | 6-Hydroxy-5-decanone, AldrichCPR | FT-0721379 | Valeroin;4-hydroxydecan-5-one | 5-Decanone, 6-hydroxy- | 6-hydroxy-decan-5-one | 6-hydroxydecan-5-one |

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Sorrisos canónicos: CCCCC(C(=O)CCCC)O
• IUPAC Name: 6-hydroxydecan-5-one
• InChIKey: ORLDHCIQVZTBQQ-UHFFFAOYSA-N
• INCHI: 1S/C10H20O2/c1-3-5-7-9(11)10(12)8-6-4-2/h9,11H,3-8H2,1-2H3
• SMILES isoméricas: CCCCC(C(=O)CCCC)O
• PubChem CID: 110894
• Peso molecular: 172.27
• Reaxy-Rn: 1754332

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Monosaccharides Acyloins Alpha-hydroxy ketones Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Monosaccharide - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

• Índice de refração: 1.44
• Ponto de inflamação (°C): 85 °C
• Ponto de ebulição (°C): 92°C/3mmHg(lit.)
• Peso molecular: 172.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥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 6540-98-3, the molecular formula is C10H20O2, and the molecular weight is 172.27 g/mol. InChIKey ORLDHCIQVZTBQQ-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.