n-Octanoic Anhydride - ≥95%(GC) , CAS No.623-66-5

CAS: 623-66-5 Cat. No.: N158905 Formula: C₁₆H₃₀O₃ Peso molecolare: 270.41 Beilstein Registry Number: 2(3)796 Numero EC: 210-806-6

QUALITÀ & PUREZZA ≥95%(GC)

Synonyms

NCIOpen2_002293 | SY051353 | MFCD00056161 | DTXSID70211363 | octanoyl octanoate | octanoic acid anhydride | NSC 57372 | RAFYDKXYXRZODZ-UHFFFAOYSA- | AKOS027340219 | dioctanoic acid anhydride | AI3-06135 | Caprylic anhydride | InChI=1/C16H30O3/c1-3-5-7-9-1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifiche

Sinonimi

NCIOpen2_002293 | SY051353 | MFCD00056161 | DTXSID70211363 | octanoyl octanoate | octanoic acid anhydride | NSC 57372 | RAFYDKXYXRZODZ-UHFFFAOYSA- | AKOS027340219 | dioctanoic acid anhydride | AI3-06135 | Caprylic anhydride | InChI=1/C16H30O3/c1-3-5-7-9-1

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

528772345

Sorrisi canonici

CCCCCCCC(=O)OC(=O)CCCCCCC

IUPAC Name

octanoyl octanoate

InChIKey

RAFYDKXYXRZODZ-UHFFFAOYSA-N

INCHI

1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3

Isomeri SMILES

CCCCCCCC(=O)OC(=O)CCCCCCC

Peso molecolare

270.41

Beilstein

2(3)796

Reaxy-Rn

391882

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=391882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• Sensibilità: Moisture Sensitive
• Indice di rifrazione: 1.44
• Punto di infiammabilità (°C): 142 °C
• Punto di ebollizione (°C): 180°C/20mmHg(lit.)
• Punto di fusione (°C): -1°C(lit.)
• Peso molecolare: 270.410 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 270.219 Da
• Monoisotopic Mass: 270.219 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 212.000
• 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