Chlorhexidine diacetate is a biguanide fungicide that has rapid bactericidal effects on both Gram-positive (Gram+) and Gram-negative (Gram+) bacteria. The antibacterial effect of Chlorhexidine diacetate is related to its effect on bacterial cell membranes and precipitation of intracellular substances.

Physicochemical Properties

Molecular Formula	C26H38CL2N10O4
Molecular Weight	625.55
Exact Mass	624.245
CAS #	56-95-1
Related CAS #	Chlorhexidine (digluconate);18472-51-0;Chlorhexidine dihydrochloride;3697-42-5;Chlorhexidine;55-56-1;Chlorhexidine acetate hydrate;206986-79-0
PubChem CID	9562059
Appearance	Typically exists as solid at room temperature
Boiling Point	699.3ºC at 760mmHg
Melting Point	153-156ºC
Flash Point	376.7ºC
LogP	6.374
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	42
Complexity	680
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C([H])C(=C([H])C=1[H])N([H])/C(/N([H])[H])=N/C(/N([H])[H])=N/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N=C(\N([H])[H])/N([H])C1C([H])=C([H])C(=C([H])C=1[H])Cl.O([H])C(C([H])([H])[H])=O.O([H])C(C([H])([H])[H])=O
InChi Key	WDRFFJWBUDTUCA-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)
Chemical Name	acetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
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 (e.g. under nitrogen), 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	Toxicity Data LC50 (rat) = 300 mg/m3
References	[1]. Sanchez IR, et al. Chlorhexidine diacetate and povidone-iodine cytotoxicity to canine embryonic fibroblasts and Staphylococcus aureus. Vet Surg. 1988;17(4):182-185.
Additional Infomation	Chlorhexidine acetate is the acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments. It has a role as an antibacterial agent, an antiinfective agent, an antifungal agent and an antifouling biocide. It contains a chlorhexidine. A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.

Solubility Data

Solubility (In Vitro)

Ethanol : 55 mg/mL (87.92 mM) H2O : 20 mg/mL (31.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.00 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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: ≥ 2.5 mg/mL (4.00 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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: ≥ 2.5 mg/mL (4.00 mM) (saturation unknown) in 10% EtOH + 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 25.0 mg/mL clear EtOH 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	1.5986 mL	7.9930 mL	15.9859 mL
	5 mM	0.3197 mL	1.5986 mL	3.1972 mL
	10 mM	0.1599 mL	0.7993 mL	1.5986 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.