5-Acetoxymethylfurfural - ≥98%(GC) , CAS No.10551-58-3

CAS: 10551-58-3 Cat. No.: A151025 Formule: C₈H₈O₄ Poids moléculaire: 168.15 Beilstein Registry Number: 18,15 Numéro CE: 234-137-4

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS015913443 | 5-Acetoxymethyl-2-furaldehyde, 99% | 5-acetoxymethyl-2-furanaldehyde | 5-Formylfurfuryl acetate | InChI=1/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H | 5-(acetyloxy) methyl-2-furancarboxaldehyde | 5-ACETOXYMETHYL-2-FURFURAL | FT-0619

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

5-Acetoxymethyl-2-furaldehyde is a volatile flavor compound present in berrycactus. It is a potential sweet modulator compound present in traditional balsamic vinegar of Modena

Specifications

Synonymes

AKOS015913443 | 5-Acetoxymethyl-2-furaldehyde, 99% | 5-acetoxymethyl-2-furanaldehyde | 5-Formylfurfuryl acetate | InChI=1/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H | 5-(acetyloxy) methyl-2-furancarboxaldehyde | 5-ACETOXYMETHYL-2-FURFURAL | FT-0619

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

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

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

528761325

Sourires canoniques

CC(=O)OCC1=CC=C(O1)C=O

IUPAC Name

(5-formylfuran-2-yl)methyl acetate

InChIKey

QAVITTVTXPZTSE-UHFFFAOYSA-N

INCHI

1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

Isomères SMILES

CC(=O)OCC1=CC=C(O1)C=O

WGK Allemagne

3

Poids moléculaire

168.15

Beilstein

18,15

Reaxy-Rn

139154

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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: air sensitive;heat sensitive
• Point d'éclair (°C): 108 °C
• Point d'ébullition (°C): 122°C/2mmHg(lit.)
• Point de fusion (°C): 53-55 °C
• Poids moléculaire: 168.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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