1,9-Diacetoxynonane - ≥98%(GC) , CAS No.4944-60-9

CAS: 4944-60-9 Cat. No.: D155874 Formula: C₁₃H₂₄O₄ Peso molecolare: 244.33

GRADE & PURITY ≥98%(GC)

Synonyms

9-(acetyloxy)nonyl acetate | N0623 | 1,9-Nonanediol Diacetate | NSC53803 | NSC-53803 | nonane-1,9-diyldiacetate | 9-acetyloxynonyl acetate | DTXSID70892313 | FT-0627554 | nonane-1,9-diyl diacetate | JAEVCKMMGIFOCL-UHFFFAOYSA-N | 1,9-Diacetoxynonane | 1,9-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

9-(acetyloxy)nonyl acetate | N0623 | 1,9-Nonanediol Diacetate | NSC53803 | NSC-53803 | nonane-1,9-diyldiacetate | 9-acetyloxynonyl acetate | DTXSID70892313 | FT-0627554 | nonane-1,9-diyl diacetate | JAEVCKMMGIFOCL-UHFFFAOYSA-N | 1,9-Diacetoxynonane | 1,9-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Sorrisi canonici: CC(=O)OCCCCCCCCCOC(=O)C
• IUPAC Name: 9-acetyloxynonyl acetate
• InChIKey: JAEVCKMMGIFOCL-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c1-12(14)16-10-8-6-4-3-5-7-9-11-17-13(2)15/h3-11H2,1-2H3
• Isomeri SMILES: CC(=O)OCCCCCCCCCOC(=O)C
• Peso molecolare: 244.33
• Reaxy-Rn: 1786378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786378&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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 ebollizione (°C): 161°C/9mmHg(lit.)
• Peso molecolare: 244.330 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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 ≥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 4944-60-9, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey JAEVCKMMGIFOCL-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.