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

CAS: 620-02-0 Cat. No.: M425132 Formule: C₆H₆O₂ Poids moléculaire: 110.11 Beilstein Registry Number: 106895 Numéro 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

Vue d’ensemble

Application

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

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528761906

Sourires canoniques

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

Isomères SMILES

CC1=CC=C(O1)C=O

WGK Allemagne

2

RTECS

LT7032500

Poids moléculaire

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
• 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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture & air sensitive
• Indice de réfraction: 1.531
• Point d'éclair (°F): 161.6 °F
• Point d'éclair (°C): 72 °C
• Point d'ébullition (°C): 187°C
• Poids moléculaire: 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