Quinacetol free base | CAS#2598-31-4 | fungicide

MedKoo Cat#: 558454 | Name: Quinacetol free base

Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Quinacetol is a fungicide compound useful in organic synthesis.

Chemical Structure

Quinacetol free base

CAS#2598-31-4 (free base)

Theoretical Analysis

MedKoo Cat#: 558454

Name: Quinacetol free base

CAS#: 2598-31-4 (free base)

Chemical Formula: C11H9NO2

Exact Mass: 187.0633

Molecular Weight: 187.20

Elemental Analysis: C, 70.58; H, 4.85; N, 7.48; O, 17.09

Price and Availability

Size	Price	Availability	Quantity
100mg	USD 650.00

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

57130-91-3 (sulfate) 2598-31-4 (free base)

Synonym

Quinacetol sulfate; Q550540; 5-Acetyloxine

IUPAC/Chemical Name

1-(8-hydroxyquinolin-5-yl)ethan-1-one

InChi Key

HZTCLDNADGMACV-UHFFFAOYSA-N

InChi Code

InChI=1S/C11H9NO2/c1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11/h2-6,14H,1H3

SMILES Code

CC(C1=C2C=CC=NC2=C(O)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

TBD

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

TBD

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	TBD	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 187.20 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

Formulation protocol:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

1: Chen M, Lu G, Guo C, Yang C, Wu J, Huang W, Yee N, Dang Z. Sulfate migration in a river affected by acid mine drainage from the Dabaoshan mining area, South China. Chemosphere. 2015 Jan;119:734-743. doi: 10.1016/j.chemosphere.2014.07.094. Epub 2014 Sep 2. PubMed PMID: 25189685. 2: Davies LA, Dargue A, Dean JR, Deary ME. Use of 24 kHz ultrasound to improve sulfate precipitation from wastewater. Ultrason Sonochem. 2015 Mar;23:424-31. doi: 10.1016/j.ultsonch.2014.08.017. Epub 2014 Aug 23. PubMed PMID: 25218769. 3: Bowling FG, Heussler HS, McWhinney A, Dawson PA. Plasma and urinary sulfate determination in a cohort with autism. Biochem Genet. 2013 Feb;51(1-2):147-53. doi: 10.1007/s10528-012-9550-0. Epub 2012 Oct 27. PubMed PMID: 23104138. 4: Zhelezinskaia I, Kaufman AJ, Farquhar J, Cliff J. Large sulfur isotope fractionations associated with Neoarchean microbial sulfate reduction. Science. 2014 Nov 7;346(6210):742-4. doi: 10.1126/science.1256211. PubMed PMID: 25378623. 5: Shen X, Han P, Yang H, Kim H, Tong M. Influence of sulfate on the transport of bacteria in quartz sand. Colloids Surf B Biointerfaces. 2013 Oct 1;110:443-9. doi: 10.1016/j.colsurfb.2013.05.014. Epub 2013 May 17. PubMed PMID: 23759385. 6: de Oliveira LM, Ma LQ, Santos JA, Guilherme LR, Lessl JT. Effects of arsenate, chromate, and sulfate on arsenic and chromium uptake and translocation by arsenic hyperaccumulator Pteris vittata L. Environ Pollut. 2014 Jan;184:187-92. doi: 10.1016/j.envpol.2013.08.025. Epub 2013 Sep 20. PubMed PMID: 24056188. 7: Miao Z, Brusseau ML, Carroll KC, Carreón-Diazconti C, Johnson B. Sulfate reduction in groundwater: characterization and applications for remediation. Environ Geochem Health. 2012 Aug;34(4):539-50. doi: 10.1007/s10653-011-9423-1. Epub 2011 Sep 23. Review. PubMed PMID: 21947714; PubMed Central PMCID: PMC3575751. 8: Wei B, Wang Q, He Y, Wang Y, Wang M, Liu Y. [Discussion on barium sulfate turbidity as arbitration inspection method for sulfate in drinking water]. Wei Sheng Yan Jiu. 2013 Sep;42(5):832-5. Chinese. PubMed PMID: 24218895. 9: Flor S, He X, Lehmler HJ, Ludewig G. Estrogenicity and androgenicity screening of PCB sulfate monoesters in human breast cancer MCF-7 cells. Environ Sci Pollut Res Int. 2016 Feb;23(3):2186-200. doi: 10.1007/s11356-015-5142-y. Epub 2015 Aug 25. PubMed PMID: 26300354; PubMed Central PMCID: PMC4718780. 10: Johnson NW, Mitchell CP, Engstrom DR, Bailey LT, Coleman Wasik JK, Berndt ME. Methylmercury production in a chronically sulfate-impacted sub-boreal wetland. Environ Sci Process Impacts. 2016 Jun 15;18(6):725-34. doi: 10.1039/c6em00138f. Epub 2016 May 25. PubMed PMID: 27224550. 11: Bathena SP, Mukherjee S, Olivera M, Alnouti Y. The profile of bile acids and their sulfate metabolites in human urine and serum. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Dec 30;942-943:53-62. doi: 10.1016/j.jchromb.2013.10.019. Epub 2013 Oct 22. PubMed PMID: 24212143. 12: Kijjanapanich P, Annachhatre AP, Esposito G, Lens PN. Use of organic substrates as electron donors for biological sulfate reduction in gypsiferous mine soils from Nakhon Si Thammarat (Thailand). Chemosphere. 2014 Apr;101:1-7. doi: 10.1016/j.chemosphere.2013.11.026. Epub 2013 Dec 13. PubMed PMID: 24332728. 13: Drennan DM, Almstrand R, Lee I, Landkamer L, Figueroa L, Sharp JO. Organoheterotrophic Bacterial Abundance Associates with Zinc Removal in Lignocellulose-Based Sulfate-Reducing Systems. Environ Sci Technol. 2016 Jan 5;50(1):378-87. doi: 10.1021/acs.est.5b04268. Epub 2015 Dec 10. PubMed PMID: 26605699. 14: Corrales J, Naja GM, Dziuba C, Rivero RG, Orem W. Sulfate threshold target to control methylmercury levels in wetland ecosystems. Sci Total Environ. 2011 May 1;409(11):2156-62. doi: 10.1016/j.scitotenv.2011.02.030. PubMed PMID: 21439608. 15: Aihara H, Saito S, Ohya T, Tamai N, Kato T, Tajiri H. A pilot study using reduced-volume oral sulfate solution as a preparation for colonoscopy among a Japanese population. Int J Colorectal Dis. 2013 Jan;28(1):83-7. doi: 10.1007/s00384-012-1588-2. Epub 2012 Sep 26. PubMed PMID: 23011548. 16: Sorokin DY, Zacharova EE, Pimenov NV, Tourova TP, Panteleeva AN, Muyzer G. Sulfidogenesis in hypersaline chloride-sulfate lakes of Kulunda Steppe (Altai, Russia). FEMS Microbiol Ecol. 2012 Feb;79(2):445-53. doi: 10.1111/j.1574-6941.2011.01228.x. Epub 2011 Nov 9. PubMed PMID: 22092787. 17: Fragkaki AG, Angelis YS, Kiousi P, Georgakopoulos CG, Lyris E. Comparison of sulfo-conjugated and gluco-conjugated urinary metabolites for detection of methenolone misuse in doping control by LC-HRMS, GC-MS and GC-HRMS. J Mass Spectrom. 2015 May;50(5):740-8. doi: 10.1002/jms.3583. PubMed PMID: 26259657. 18: Hao T, Lu H, Chui HK, van Loosdrecht MC, Chen GH. Granulation of anaerobic sludge in the sulfate-reducing up-flow sludge bed (SRUSB) of SANI(®) process. Water Sci Technol. 2013;68(3):560-6. doi: 10.2166/wst.2013.182. PubMed PMID: 23925183. 19: An X, Baker P, Li H, Su J, Yu C, Cai C. The patterns of bacterial community and relationships between sulfate-reducing bacteria and hydrochemistry in sulfate-polluted groundwater of Baogang rare earth tailings. Environ Sci Pollut Res Int. 2016 Nov;23(21):21766-21779. Epub 2016 Aug 13. PubMed PMID: 27522211. 20: Ravikumar I, Ghosh P. Recognition and separation of sulfate anions. Chem Soc Rev. 2012 Apr 21;41(8):3077-98. doi: 10.1039/c2cs15293b. Epub 2012 Jan 16. Review. PubMed PMID: 22249884.