4-Ethynylanisole is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research. 4-Ethynylanisole is a click chemical reagent. It contains Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Azide group.

Physicochemical Properties

Molecular Formula	C9H8O
Molecular Weight	132.16
Exact Mass	132.057
CAS #	768-60-5
Related CAS #	26797-70-6
PubChem CID	251020
Appearance	Colorless to light yellow <28°C powder,>29°C liquid
Density	1.0±0.1 g/cm3
Boiling Point	194.8±23.0 °C at 760 mmHg
Melting Point	28-29 °C(lit.)
Flash Point	63.5±18.3 °C
Vapour Pressure	0.6±0.4 mmHg at 25°C
Index of Refraction	1.530
LogP	2.32
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Complexity	134
Defined Atom Stereocenter Count	0
SMILES	C1=C(C=CC(=C1)C#C)OC
InChi Key	KBIAVTUACPKPFJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
Chemical Name	1-ethynyl-4-methoxybenzene
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

ln Vitro	4-Photoluminescent 1,2-dihydrophosphines are produced by a [4+2] cycloaddition process with ethynylanisole.
Additional Infomation	1-Eth-1-ynyl-4-methoxybenzene is a member of methoxybenzenes.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (756.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.92 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 (18.92 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 (18.92 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	7.5666 mL	37.8329 mL	75.6659 mL
	5 mM	1.5133 mL	7.5666 mL	15.1332 mL
	10 mM	0.7567 mL	3.7833 mL	7.5666 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.