2-Methylfuran - ≥98% , CAS No.534-22-5

CAS: 534-22-5 Cat. No.: M110932 Formula: C₅H₆O Molecular Weight: 82.1 Beilstein Registry Number: 103733 EC Number: 208-594-5

GRADE & PURITY ≥98%

Synonyms

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2-Methylfuran, a substituted furan, is considered as a potential alternative fuel for internal combustion engines. Its microwave spectrum has been analyzed. The synthesis of 2-MF from carbon sources under different reaction conditions have been reported.

2-Methylfuran may be used in the synthesis of exo-cis-1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride via Diels-Alder reaction with maleic anhydride.

Specifications

Synonyms

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

504752006

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752006

Canonical Smiles

CC1=CC=CO1

IUPAC Name

2-methylfuran

InChIKey

VQKFNUFAXTZWDK-UHFFFAOYSA-N

INCHI

1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

Isomeric SMILES

CC1=CC=CO1

WGK Germany

1

RTECS

LU2625000

UN Number

2301

Packing Group

II

Molecular Weight

82.1

Beilstein

103733

Reaxy-Rn

103733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Associated Targets(Human)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO and Methanol
• Sensitivity: Light & air sensitive.
• Refractive Index: 1.4332
• Flash Point(°F): -26℃
• Flash Point(°C): -26℃
• Boil Point(°C): 63-66°C
• Melt Point(°C): -88.68°C
• Molecular Weight: 82.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.0419 Da
• Monoisotopic Mass: 82.0419 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• 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