WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 558476
CAS#: 13679-74-8
Description: 2-Acetyl-5-methylthiophene is a constituent of coffee aroma.
MedKoo Cat#: 558476
Name: 2-Acetyl-5-methylthiophene
CAS#: 13679-74-8
Chemical Formula: C7H8OS
Exact Mass: 140.03
Molecular Weight: 140.2
Elemental Analysis: C, 59.97; H, 5.75; O, 11.41; S, 22.87
Synonym: 2-Acetyl-5-methylthiophene; 2 Acetyl 5 methylthiophene; 2Acetyl5methylthiophene; Methylthienylcetone;
IUPAC/Chemical Name: 1-(5-Methyl-2-thienyl)ethan-1-one
InChi Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
SMILES Code: CC(C1=CC=C(C)S1)=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
The following data is based on the product molecular weight 140.2 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: Scognamiglio J, Letizia CS, Api AM. Fragrance material review on 1-(2,5,5-trimethylcycloheptyl)ethan-1-one. Food Chem Toxicol. 2013 Dec;62 Suppl 1:S144-7. doi: 10.1016/j.fct.2013.07.055. Epub 2013 Jul 30. Review. PubMed PMID: 23911797.
2: Scognamiglio J, Letizia CS, Api AM. Fragrance material review on 1-[5(or 6)-methyl-7(or 8)-1-(methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one. Food Chem Toxicol. 2013 Dec;62 Suppl 1:S61-6. doi: 10.1016/j.fct.2013.08.066. Review. PubMed PMID: 24246185.
3: Scognamiglio J, Letizia CS, Api AM. Fragrance material review on 1-(3,5,6-trimethyl-3-cyclohexen-1-yl)ethan-1-one. Food Chem Toxicol. 2013 Dec;62 Suppl 1:S106-9. doi: 10.1016/j.fct.2013.08.059. Review. PubMed PMID: 24246177.
4: Scognamiglio J, Letizia CS, Api AM. Fragrance material review on 1-(3,3-dimethylcyclohexyl)ethan-1-one. Food Chem Toxicol. 2013 Dec;62 Suppl 1:S56-60. doi: 10.1016/j.fct.2013.08.067. Review. PubMed PMID: 24246184.
5: Scognamiglio J, Letizia CS, Api AM. Fragrance material review on 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one. Food Chem Toxicol. 2013 Dec;62 Suppl 1:S100-5. doi: 10.1016/j.fct.2013.08.060. Review. PubMed PMID: 24246176.
6: De Falco F, Di Giovanni C, Cerchia C, De Stefano D, Capuozzo A, Irace C, Iuvone T, Santamaria R, Carnuccio R, Lavecchia A. Novel non-peptide small molecules preventing IKKβ/NEMO association inhibit NF-κB activation in LPS-stimulated J774 macrophages. Biochem Pharmacol. 2016 Mar 15;104:83-94. doi: 10.1016/j.bcp.2016.01.008. Epub 2016 Jan 14. PubMed PMID: 26776306.
