Acetic propionic anhydride - ≥95% , CAS No.13080-96-1

CAS: 13080-96-1 Cat. No.: A302345 Formule: C₅H₈O₃ Poids moléculaire: 116.12

GRADE & PURITY ≥95%

Synonyms

acetic propanoic anhydride | Propanoic acid, anhydride with acetic acid | DTXSID50513918 | Aceticpropionicanhydride | AS-30838 | KLUDQUOLAFVLOL-UHFFFAOYSA-N | Acetic propionic anhydride | AKOS016003138 | SCHEMBL35072 | acetyl propanoate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

acetic propanoic anhydride | Propanoic acid, anhydride with acetic acid | DTXSID50513918 | Aceticpropionicanhydride | AS-30838 | KLUDQUOLAFVLOL-UHFFFAOYSA-N | Acetic propionic anhydride | AKOS016003138 | SCHEMBL35072 | acetyl propanoate

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCC(=O)OC(=O)C
• IUPAC Name: acetyl propanoate
• InChIKey: KLUDQUOLAFVLOL-UHFFFAOYSA-N
• INCHI: 1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3
• Isomères SMILES: CCC(=O)OC(=O)C
• Poids moléculaire: 116.12
• Reaxy-Rn: 1748700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748700&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 154.1°C at 760 mmHg
• Poids moléculaire: 116.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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