Synonym
3-Acetyl-2,5-dimethylfuran; 3-Acetyl-2, 5-dimethylfuran; 3Acetyl2,5dimethylfuran; Ketone, 2,5-dimethyl-3-furyl methyl; Ethanone, 1-(2,5-dimethyl-3-furanyl)-;
IUPAC/Chemical Name
1-(2,5-Dimethyl-3-furyl)ethan-1-one
InChi Key
KBSVBCHYXYXDAG-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
SMILES Code
CC(C1=C(C)OC(C)=C1)=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
138.17
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Jia C, Ward KD, Mzayek F, Relyea G. Blood 2,5-dimethylfuran as a sensitive and specific biomarker for cigarette smoking. Biomarkers. 2014 Sep;19(6):457-62. doi: 10.3109/1354750X.2014.935956. Epub 2014 Jul 1. PubMed PMID: 24980250.
2: Høie AH, Svendsen C, Rasmussen T, Alexander J, Husøy T. Intestinal Tumor Development in C57BL/6J-ApcMin/+ Mice Expressing Human Sulphotransferases 1A1 and 1A2 After Oral Exposure to 2,5-Dimethylfuran. Anticancer Res. 2016 Feb;36(2):545-53. PubMed PMID: 26851008.
3: Wang K, Li W, Chen J, Peng Y, Zheng J. Detection of cysteine- and lysine-based protein adductions by reactive metabolites of 2,5-dimethylfuran. Anal Chim Acta. 2015 Oct 8;896:93-101. doi: 10.1016/j.aca.2015.09.017. Epub 2015 Sep 21. PubMed PMID: 26481992.
4: Togbé C, Tran LS, Liu D, Felsmann D, Oßwald P, Glaude PA, Sirjean B, Fournet R, Battin-Leclerc F, Kohse-Höinghaus K. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran. Combust Flame. 2014 Mar 1;161(3):780-797. PubMed PMID: 24518851; PubMed Central PMCID: PMC3837207.
5: Dacunto PJ, Cheng KC, Acevedo-Bolton V, Jiang RT, Klepeis NE, Repace JL, Ott WR, Hildemann LM. Identifying and quantifying secondhand smoke in source and receptor rooms: logistic regression and chemical mass balance approaches. Indoor Air. 2014 Feb;24(1):59-70. doi: 10.1111/ina.12049. Epub 2013 May 23. PubMed PMID: 23631597.
