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

CAS: 6540-98-3 Cat. No.: V162928 分子式: C₁₀H₂₀O₂ 分子量: 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

同義語

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 |

仕様と純度

≥97%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥97%(GC)

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCCCC(C(=O)CCCC)O

PubChem CID

110894

分子量

172.27

Reaxy-Rn

1754332

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.44
• 引火点（°C）: 85 °C
• 沸点（°C）: 92°C/3mmHg(lit.)
• 分子量: 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

よくある質問

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.