4-Chloroguaiaco (4-Chloro-2-methoxyphenol) is a phenol analogue with antimicrobial activity. 4-Chloroguaiaco has inhibitory effects on both Staphylococcus aureus and Escherichia coli, with MICs of 110 μg/mL.

Physicochemical Properties

Molecular Formula	C7H7CLO2
Molecular Weight	158.58
Exact Mass	158.013
CAS #	16766-30-6
PubChem CID	28050
Appearance	Typically exists as solid at room temperature
Density	1.3±0.1 g/cm3
Boiling Point	242.4±20.0 °C at 760 mmHg
Melting Point	16-17 °C(lit.)
Flash Point	100.4±21.8 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.554
LogP	2.36
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Complexity	108
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])O[H]
InChi Key	FVZQMMMRFNURSH-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
Chemical Name	4-chloro-2-methoxyphenol
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

Targets	MIC: 110 μg/mL (S. aureus), 110 μg/mL (E. coli )[1].
References	[1]. Patrícia Fontes Pinheiro, et al. Semisynthetic Phenol Derivatives Obtained from Natural Phenols: Antimicrobial Activity and Molecular Properties. J Agric Food Chem. 2018 Jan 10;66(1):323-330.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (630.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (15.76 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 25.0 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: ≥ 2.5 mg/mL (15.76 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 25.0 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: ≥ 2.5 mg/mL (15.76 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 25.0 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	6.3060 mL	31.5298 mL	63.0597 mL
	5 mM	1.2612 mL	6.3060 mL	12.6119 mL
	10 mM	0.6306 mL	3.1530 mL	6.3060 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.