3-Acetyl-2,5-dimethylfuran
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558434

CAS#: 10599-70-9

Description: 3-Acetyl-2,5-dimethylfuran is a flavouring agent and it has a musty type odor and an nutty type flavor.

Chemical Structure

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3-Acetyl-2,5-dimethylfuran
CAS# 10599-70-9
Instruction

Theoretical Analysis

MedKoo Cat#: 558434
Name: 3-Acetyl-2,5-dimethylfuran
CAS#: 10599-70-9
Chemical Formula: C8H10O2
Exact Mass: 138.07
Molecular Weight: 138.170
Elemental Analysis: C, 69.55; H, 7.30; O, 23.16

Price and Availability

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5g USD 210 2 Weeks
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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

Appearance: Solid powder

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.