5-Methylfurfural - 10mM in DMSO , CAS No.620-02-0

CAS: 620-02-0 Cat. No.: M425132 Fórmula: C₆H₆O₂ Peso molecular: 110.11 Beilstein Registry Number: 106895 Número CE: 210-622-6

GRADE & PURITY 10mM in DMSO

Synonyms

EINECS 210-622-6 | 5-Methyl-2-furancarboxaldehyde | 5-Methyl furfural | 5-Methylfuran-2-carbaldehyde;5-Methyl-2-furaldehyde | BRN 0106895 | CCG-266047 | 5-17-09-00404 (Beilstein Handbook Reference) | 5-METHYLFURFURAL | 5-methyl-furfural | PD087963 | 5-Met

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Application

5-Methylfurfural was used to investigate the volatile compounds isolated from Erica arborea and Calluna vulgaris unifloral honeys.

Specifications

Sinónimos

EINECS 210-622-6 | 5-Methyl-2-furancarboxaldehyde | 5-Methyl furfural | 5-Methylfuran-2-carbaldehyde;5-Methyl-2-furaldehyde | BRN 0106895 | CCG-266047 | 5-17-09-00404 (Beilstein Handbook Reference) | 5-METHYLFURFURAL | 5-methyl-furfural | PD087963 | 5-Met

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528761906

Sorrisos canónicos

CC1=CC=C(O1)C=O

IUPAC Name

5-methylfuran-2-carbaldehyde

InChIKey

OUDFNZMQXZILJD-UHFFFAOYSA-N

INCHI

1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

SMILES isoméricas

CC1=CC=C(O1)C=O

WGK Alemanha

2

RTECS

LT7032500

Peso molecular

110.11

Beilstein

106895

Reaxy-Rn

106895

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106895&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 Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: 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: arenecarbaldehyde

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 ação

Propriedades químicas e físicas

• Sensibilidade: Moisture & air sensitive
• Índice de refração: 1.531
• Ponto de inflamação (°F): 161.6 °F
• Ponto de inflamação (°C): 72 °C
• Ponto de ebulição (°C): 187°C
• Peso molecular: 110.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.037 Da
• Monoisotopic Mass: 110.037 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.500
• 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