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5-Methylfurfural (Standard)

CAT: 0804-HY-Y0543R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0543R-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Methylfurfural (Standard) is the analytical standard of 5-Methylfurfural. This product is intended for research and analytical applications. 5-Methylfurfural is a chemical that can be utilized as food additive, intermediate in the production of agrochemicals, and precursor of certain anti-cancer natural products. 5-Methylfurfural is formed during the photoexposition of ranitidine hydrochloride. 5-Methylfurfural is an organic compound. 5-Methylfurfural has a strong tendency to be further hydrogenated to 2,5-dimethylfuran (DMF) . 5-Methylfurfural can predominantly evoke skin inflammation and barrier disintegration. 5-Methylfurfural degrades native DNA through the formation of single-strand breaks[1][2][3][4][5].
CAS Number
620-02-0
UNSPSC
12352005
Target
Biochemical Assay Reagents; COX; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Others
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/5-methylfurfural-standard.html
Smiles
O=CC1=CC=C(C)O1
Molecular Formula
C6H6O2
Molecular Weight
110.11
References & Citations
[1]Lin Dong, et al., Selective hydrogenolysis of 5-hydroxymethylfurfural to 5-methylfurfural over Au/TiO2, Applied Catalysis B: Environmental, Volume 335, 2023, 122893, ISSN 0926-3373. |[2]Marzena Jamrógiewicz, et al., Detection of some volatile degradation products released during photoexposition of ranitidine in a solid state, Journal of Pharmaceutical and Biomedical Analysis, Volume 76, 2013, Pages 177-182, ISSN 0731-7085.|[3]Li, S., et al., (2021) . Selective hydrogenation of 5- (hydroxymethyl) furfural to 5-methylfurfural over single atomic metals anchored on Nb2O5. Nature communications, 12 (1), 584.|[4]Lin, Y. K., et al., (2024) . Systematic establishment of the relationship between skin absorption and toxicity of furanoids via in silico, in vitro, and in vivo assessments. Environmental research, 261, 119757.|[5]Shahabuddin, Rahman, A., & Hadi, S. M. (1990) . Specificity of the in vitro interaction of methylfurfural with DNA. Mutagenesis, 5 (2), 131–136.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-Methylfurfural

5-methyl-2-furaldehyde is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and methyl groups, respectively. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a flavouring agent, a Maillard reaction product and a human metabolite. It is an aldehyde and a member of furans.

CAS Number620-02-0
PubChem CID12097
IUPAC Name5-methylfuran-2-carbaldehyde
Molecular FormulaC6H6O2
Molecular Weight110.11
XLogP0.7
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity90
SMILES
CC1=CC=C(O1)C=O
InChI
InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey
OUDFNZMQXZILJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylfurfural
CAS: 620-02-0
CID: 12097
Formula: C6H6O2
MW: 110.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.11
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass110.036779430
Monoisotopic Mass110.036779430
Topological Polar Surface Area30.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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