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

CAS: 620-02-0 Cat. No.: M425132 分子式: C₆H₆O₂ 分子量: 110.11 Beilstein Registry Number: 106895 EC番号: 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

概要

Application

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

Specifications

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528761906

カノニカル・スマイル

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

異性体SMILES

CC1=CC=C(O1)C=O

WGKドイツ

2

RTECS

LT7032500

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture & air sensitive
• 屈折率: 1.531
• 引火点（°F）: 161.6 °F
• 引火点（°C）: 72 °C
• 沸点（°C）: 187°C
• 分子量: 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