Dehydroacetic acid sodium is a pyran analogue used as an antibacterial and antifungal compound/agent and also has phytotoxic effects.

Physicochemical Properties

Molecular Formula	C8H7NAO4
Molecular Weight	190.13
Exact Mass	190.024
CAS #	4418-26-2
PubChem CID	23675081
Appearance	Off-white to yellow solid powder
Boiling Point	332.6ºC at 760 mmHg
Melting Point	~295 °C (dec.)
Flash Point	150.6ºC
LogP	1.294
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Complexity	314
Defined Atom Stereocenter Count	0
SMILES	C([C-]1C(OC(C)=CC1=O)=O)(=O)C.[Na+]
InChi Key	DSOWAKKSGYUMTF-GZOLSCHFSA-M
InChi Code	InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,9H,1-2H3;/q;+1/p-1/b7-5+;
Chemical Name	sodium;(1E)-1-(6-methyl-2,4-dioxopyran-3-ylidene)ethanolate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Toxicity/Toxicokinetics	Interactions Toxicological potentiation of 2 food additives was investigated in male and female Wistar rats given sodium dehydroacetate (DHA-Na) and dibutyl hydroxy toluene (BHT) in the diet for 6 months. No marked potentiation of toxicity was observed with the combination of DHA-Na and BHT regardless of the dosage.
References	[1]. Baldwin AG, et al. Synthesis and antibacterial activities of enamine derivatives of dehydroacetic acid. Med Chem Res. 2018;27(3):884-889.
Additional Infomation	Sodium dehydroacetate is a white powder. Used as a fungicide, plasticizer, toothpaste, preservative in food. See also: Sodium Dehydroacetate (annotation moved to).

Solubility Data

Solubility (In Vitro)

DMSO : 125 mg/mL (657.44 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (10.94 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (10.94 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (10.94 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	5.2596 mL	26.2978 mL	52.5956 mL
	5 mM	1.0519 mL	5.2596 mL	10.5191 mL
	10 mM	0.5260 mL	2.6298 mL	5.2596 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.