3,5-Dimethylbenzaldehyde is a molecular building block/intermediate in chemical synthesis.

Physicochemical Properties

Molecular Formula	C9H10O
Molecular Weight	134.18
Exact Mass	134.073
CAS #	5779-95-3
PubChem CID	34225
Appearance	Colorless to light yellow liquid
Density	1.0±0.1 g/cm3
Boiling Point	221.0±0.0 °C at 760 mmHg
Melting Point	8-10 °C
Flash Point	87.5±5.0 °C
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.551
LogP	2.56
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Complexity	110
Defined Atom Stereocenter Count	0
SMILES	O=C([H])C1C([H])=C(C([H])([H])[H])C([H])=C(C([H])([H])[H])C=1[H]
InChi Key	NBEFMISJJNGCIZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
Chemical Name	3,5-dimethylbenzaldehyde
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]. Coupled large amplitude motions: a case study of the dimethylbenzaldehyde isomers. J Phys Chem A. 2013 Dec 19;117(50):13636-47.
Additional Infomation	3,5-Dimethylbenzaldehyde has been reported in Nicotiana tabacum with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (745.27 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.63 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 (18.63 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 (18.63 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	7.4527 mL	37.2634 mL	74.5268 mL
	5 mM	1.4905 mL	7.4527 mL	14.9054 mL
	10 mM	0.7453 mL	3.7263 mL	7.4527 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.