MedKoo Cat#: 591739 | Name: Dehydroacetic Acid
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Description:

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

Dehydroacetic acid is an organic compound which has several industrial applications. The compound is classified as a pyrone derivative. It works as an antibacterial.

Chemical Structure

Dehydroacetic Acid
Dehydroacetic Acid
CAS#520-45-6

Theoretical Analysis

MedKoo Cat#: 591739

Name: Dehydroacetic Acid

CAS#: 520-45-6

Chemical Formula: C8H8O4

Exact Mass: 168.0423

Molecular Weight: 168.15

Elemental Analysis: C, 57.14; H, 4.80; O, 38.06

Price and Availability

Size Price Availability Quantity
5g USD 250.00 2 Weeks
25g USD 450.00 2 Weeks
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Related CAS #
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Synonym
Dehydroacetic Acid; NSC 139150; NSC-139150; NSC139150; Methylacetopyronone; Biocide 470F
IUPAC/Chemical Name
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
InChi Key
PGRHXDWITVMQBC-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
SMILES Code
O=C1C(C(C)=O)C(C=C(C)O1)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 168.15 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
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Design, synthesis, characterization, antimicrobial evaluation and molecular modeling studies of some dehydroacetic acid-chalcone-1,2,3-triazole hybrids. Bioorg Chem. 2018 Apr;77:236-244. doi: 10.1016/j.bioorg.2018.01.016. Epub 2018 Jan 11. PubMed PMID: 29421698. 5: Scordino M, Lazzaro F, Borzì MA, Sabatino L, Traulo P, Gagliano G. Dehydroacetic acid in cheese and cheese coating, results of official control in Italy. Food Addit Contam Part B Surveill. 2018 Mar;11(1):75-81. doi: 10.1080/19393210.2017.1412360. Epub 2018 Jan 22. PubMed PMID: 29228873. 6: Liu H, Han L, Xie J, Wu Y, Xie Y, Zhang Y. The tissue residues of sodium dehydroacetate used as feed preservative in swine. J Sci Food Agric. 2018 Jan;98(2):787-791. doi: 10.1002/jsfa.8526. Epub 2017 Aug 16. PubMed PMID: 28677852. 7: Liu M, Zhou Y, Zhu J, Ma B, Fang Z, Zhang Q. Synthesis and preclinical pharmacokinetic study of DHA-10, a novel potential antifungal pogostone analogue. J Pharm Pharmacol. 2017 Sep;69(9):1084-1090. doi: 10.1111/jphp.12750. Epub 2017 May 23. PubMed PMID: 28543298. 8: Bregović N, Cindro N, Bertoša B, Barišić D, Frkanec L, Užarević K, Tomišić V. Dehydroacetic Acid Derivatives Bearing Amide or Urea Moieties as Effective Anion Receptors. Chemistry. 2017 Aug 1;23(43):10396-10406. doi: 10.1002/chem.201701677. Epub 2017 Jul 11. PubMed PMID: 28493492. 9: Park BB, Lee N, Kim Y, Jae Y, Choi S, Kang N, Hong YR, Ok K, Cho J, Jeon YH, Lee EH, Byun Y, Koo J. Analogues of Dehydroacetic Acid as Selective and Potent Agonists of an Ectopic Odorant Receptor through a Combination of Hydrophilic and Hydrophobic Interactions. ChemMedChem. 2017 Apr 6;12(7):477-482. doi: 10.1002/cmdc.201600612. Epub 2017 Mar 15. PubMed PMID: 28296270. 10: Sugiura J, Nakajima M. Simultaneous determination of nine preservatives in food by liquid chromatography with the aid of coagulant in the clean-up process. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2017 May;34(5):695-704. doi: 10.1080/19440049.2017.1293302. Epub 2017 Feb 22. PubMed PMID: 28277177. 11: Xia S, Lin R, Jin L, Zhao L, Kang HB, Pan Y, Liu S, Qian G, Qian Z, Konstantakou E, Zhang B, Dong JT, Chung YR, Abdel-Wahab O, Merghoub T, Zhou L, Kudchadkar RR, Lawson DH, Khoury HJ, Khuri FR, Boise LH, Lonial S, Lee BH, Pollack BP, Arbiser JL, Fan J, Lei QY, Chen J. Prevention of Dietary-Fat-Fueled Ketogenesis Attenuates BRAF V600E Tumor Growth. Cell Metab. 2017 Feb 7;25(2):358-373. doi: 10.1016/j.cmet.2016.12.010. Epub 2017 Jan 12. PubMed PMID: 28089569; PubMed Central PMCID: PMC5299059. 12: Foti C, Romita P, Ettorre G, Angelini G, Bonamonte D. Allergic contact dermatitis caused by resorcinol and sodium dehydroacetate in a patient with leg ulcers. Contact Dermatitis. 2016 Jun;74(6):383-4. doi: 10.1111/cod.12575. PubMed PMID: 27133632. 13: Zhang X, Xie C, Huang Y, Hou B, Bao Y, Gong J, Yin Q, Rohani S. Formation and Transformation Behavior of Sodium Dehydroacetate Hydrates. Molecules. 2016 Apr 6;21(4):458. doi: 10.3390/molecules21040458. PubMed PMID: 27058518. 14: Chen W, Wang H, Zhang K, Gao F, Chen S, Li D. Physicochemical Properties and Storage Stability of Microencapsulated DHA-Rich Oil with Different Wall Materials. Appl Biochem Biotechnol. 2016 Aug;179(7):1129-42. doi: 10.1007/s12010-016-2054-3. Epub 2016 Mar 22. PubMed PMID: 27003283. 15: Cai R, Yuan Y, Wang Z, Guo C, Liu B, Pan C, Liu L, Yue T. Effects of preservatives on Alicyclobacillus acidoterrestris growth and guaiacol production. Int J Food Microbiol. 2015 Dec 2;214:145-150. doi: 10.1016/j.ijfoodmicro.2015.08.013. Epub 2015 Aug 20. PubMed PMID: 26301383. 16: Billes F, Elečková L, Mikosch H, Andruch V. Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jul 5;146:97-112. doi: 10.1016/j.saa.2015.03.010. Epub 2015 Mar 6. PubMed PMID: 25813167. 17: Hashimoto M, Koen T, Takahashi H, Suda C, Kitamoto K, Fujii I. Aspergillus oryzae CsyB catalyzes the condensation of two β-ketoacyl-CoAs to form 3-acetyl-4-hydroxy-6-alkyl-α-pyrone. J Biol Chem. 2014 Jul 18;289(29):19976-84. doi: 10.1074/jbc.M114.569095. Epub 2014 Jun 3. PubMed PMID: 24895122; PubMed Central PMCID: PMC4106316. 18: Zhu H, Chen X, Zhao Y, Li X, Pan S, Jin M. [Identification of benzoic acid, sorbic aicid and dehydroacetic acid residues in alcoholic drinks and beverages]. Wei Sheng Yan Jiu. 2014 Jan;43(1):116-20. Chinese. PubMed PMID: 24564123. 19: Chen Q, Duan Z, Li H, Yan Z, Peng Y, Zeng H. [Analysis of the reaction solution for dehydroacetic acid by ethyl acetoacetate using high formance liquid chromatography]. Se Pu. 2013 May;31(5):462-6. Chinese. PubMed PMID: 24010347. 20: Tsuruda S, Sakamoto T, Akaki K. [Simultaneous determination of twelve sweeteners and nine preservatives in foods by solid-phase extraction and LC-MS/MS]. Shokuhin Eiseigaku Zasshi. 2013;54(3):204-12. Japanese. PubMed PMID: 23863365.