3,4,5-Trimethoxybenzaldehyde is an intermediate in the synthesis/preparation of various drugs, especially trimethoprim used to study bacterial infections such as urinary tract pathogen infections.

Physicochemical Properties

Molecular Formula	C10H12O4
Molecular Weight	196.20
Exact Mass	196.073
CAS #	86-81-7
Related CAS #	3,4,5-Trimethoxybenzaldehyde-d3;1219805-17-0
PubChem CID	6858
Appearance	Off-white to light brown solid powder
Density	1.1±0.1 g/cm3
Boiling Point	311.4±37.0 °C at 760 mmHg
Melting Point	72-74 °C(lit.)
Flash Point	136.8±26.5 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.525
LogP	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Complexity	169
Defined Atom Stereocenter Count	0
SMILES	O=CC1C=C(OC)C(OC)=C(OC)C=1
InChi Key	OPHQOIGEOHXOGX-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
Chemical Name	3,4,5-trimethoxybenzaldehyde
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

References	[1]. Oxidation of 3,4,5-trimethoxybenzaldehyde by pyridinium fluorochromate in N,N-dimethyl formamide medium: A kinetic and mechanistic study. Arabian Journal of Chemistry. Volume 9, Supplement 1, September 2016, Pages S440-S445.
Additional Infomation	3,4,5-Trimethoxybenzaldehyde has been reported in Zanthoxylum ailanthoides, Acorus calamus, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (254.84 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 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 (12.74 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 (12.74 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	5.0968 mL	25.4842 mL	50.9684 mL
	5 mM	1.0194 mL	5.0968 mL	10.1937 mL
	10 mM	0.5097 mL	2.5484 mL	5.0968 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.