3-Acetyl-2,5-dimethylfuran - ≥98%(GC) , CAS No.10599-70-9

CAS: 10599-70-9 Cat. No.: A151396 Peso molecular: 138.17 Número EC: 234-216-3

GRADE & PURITY ≥98%(GC)

Synonyms

W-108776 | 2.5-Dimethyl-3-acetyl furan | 3-Acetyl-2,5-dimethylfuran, >=99%, FCC, FG | A1121 | CAS-10599-70-9 | 3-Acetyl-2-5-dimethylfuran | 1-(2,5-Dimethyl-3-furanyl)ethanone | 1-(2,5-Dimethyl-3-furanyl)-Ethanone | DTXSID1030317 | 1-(2,5-Dimethyl-3-furyl)

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Introduction

3-Acetyl-2,5-dimethylfuran is a flavouring agent and its specifications were revised.

Application

3-Acetyl-2,5-dimethylfuran was used in synthesis of:

furylfulgide, 2-1-(2, 5-dimethyl-3-furyl) ethylidene-3-isopropylidene succinic anhydride

Chalcones

1-(2′,5′-dimethyl-3′-furyl)-3-(aryl)-2-propen-1-one

Specifications

Sinónimos

W-108776 | 2.5-Dimethyl-3-acetyl furan | 3-Acetyl-2, 5-dimethylfuran, >=99%, FCC, FG | A1121 | CAS-10599-70-9 | 3-Acetyl-2-5-dimethylfuran | 1-(2, 5-Dimethyl-3-furanyl)ethanone | 1-(2, 5-Dimethyl-3-furanyl)-Ethanone | DTXSID1030317 | 1-(2, 5-Dimethyl-3-furyl)

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183508
• Sonrisas canónicas: CC1=CC(=C(O1)C)C(=O)C
• IUPAC Name: 1-(2,5-dimethylfuran-3-yl)ethanone
• InChIKey: KBSVBCHYXYXDAG-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
• Isómeros SMILES: CC1=CC(=C(O1)C)C(=O)C
• WGK Alemania: 3
• Peso molecular: 138.17
• Reaxy-Rn: 112094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.49
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 82°C(lit.)
• Punto de ebullición (°C): 196°C(lit.)
• Peso molecular: 138.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 142.000
• 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