The structure of 1,2,3,4-Tetramethylbenzene consists of a benzene ring with four methyl groups (-CH3) as substituents and may be used in biochemical research.

Physicochemical Properties

Molecular Formula	C10H14
Molecular Weight	134.22
Exact Mass	134.109
CAS #	488-23-3
PubChem CID	10263
Appearance	Colorless to light yellow liquid（Density：0.838 g/cm3）
Density	0.9±0.1 g/cm3
Boiling Point	204.0±35.0 °C at 760 mmHg
Melting Point	76-80 °C(lit.)
Flash Point	68.3±0.0 °C
Vapour Pressure	0.4±0.2 mmHg at 25°C
Index of Refraction	1.501
LogP	4.06
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	10
Complexity	92.6
Defined Atom Stereocenter Count	0
SMILES	C1(C([H])([H])[H])=C(C([H])([H])[H])C([H])=C([H])C(C([H])([H])[H])=C1C([H])([H])[H]
InChi Key	UOHMMEJUHBCKEE-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
Chemical Name	1,2,3,4-tetramethylbenzene
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
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]. Ying Duan Lei, et al. Measuring the Octan-1-ol Air Partition Coefficient of Volatile Organic Chemicals with the Variable Phase Ratio Headspace Technique. Cite this: J. Chem. Eng. Data 2019, 64, 11, 4793–4800.
Additional Infomation	Prehnitene is a tetramethylbenzene that consists of benzene substituted by methyl groups at positions 1, 2, 3 and 4. 1,2,3,4-Tetramethylbenzene has been reported in Ceratophyllum demersum with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (745.05 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	7.4505 mL	37.2523 mL	74.5045 mL
	5 mM	1.4901 mL	7.4505 mL	14.9009 mL
	10 mM	0.7450 mL	3.7252 mL	7.4505 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.