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

CAS: 10551-58-3 Cat. No.: A151025 Formula: C₈H₈O₄ Peso molecolare: 168.15 Beilstein Registry Number: 18,15 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 528761325
• Sorrisi canonici: 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
• Isomeri SMILES: CC(=O)OCC1=CC=C(O1)C=O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: air sensitive;heat sensitive
• Punto di infiammabilità (°C): 108 °C
• Punto di ebollizione (°C): 122°C/2mmHg(lit.)
• Punto di fusione (°C): 53-55 °C
• Peso molecolare: 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