2-Methylanisole is a monomethoxybenzene that could be utilized as an intermediate in the synthesis/preparation of compounds with methylhydroquinone as the core.

Physicochemical Properties

Molecular Formula	C8H10O
Molecular Weight	122.16
Exact Mass	122.073
CAS #	578-58-5
Related CAS #	2-Methylanisole-d3;258832-47-2
PubChem CID	33637
Appearance	Colorless to light yellow liquid（Density：0.985 g/cm3 ）
Density	0.9±0.1 g/cm3
Boiling Point	171.0±0.0 °C at 760 mmHg
Melting Point	170-172 °C(lit.)
Flash Point	51.7±0.0 °C
Vapour Pressure	1.9±0.3 mmHg at 25°C
Index of Refraction	1.494
LogP	2.59
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Complexity	80.6
Defined Atom Stereocenter Count	0
SMILES	O(C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
InChi Key	DTFKRVXLBCAIOZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
Chemical Name	1-methoxy-2-methylbenzene
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]. Total synthesis of (±)-heliannuol D, an allelochemical from Helianthus annuus. Tetrahedron Letters. Volume 41, Issue 8, 19 February 2000.

Additional Infomation

2-methylanisole is a monomethoxybenzene that is o-cresol in which phenolic hydroxy group has been converted to the corresponding methyl ether. A 'green' solvent (b.p. 171 ℃) and food flavour ingredient, it is found in mastic oils, virgin olive oils and frankincense. It has a role as a polar aprotic solvent and a flavouring agent. It is a monomethoxybenzene, a volatile organic compound and a member of toluenes. It is functionally related to an o-cresol. 2-Methylanisole has been reported in Boswellia sacra, Centaurea solstitialis, and Ruta graveolens with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (818.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (20.46 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 (20.46 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 (20.46 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	8.1860 mL	40.9299 mL	81.8599 mL
	5 mM	1.6372 mL	8.1860 mL	16.3720 mL
	10 mM	0.8186 mL	4.0930 mL	8.1860 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.