7-Octyn-1-ol is the precursor of 7-octanoic acid. Oxidation of 7-Octyn-1-ol Jones produces 7-octanoic acid. 7-Octyn-1-ol is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C8H14O
Molecular Weight	126.1962
Exact Mass	126.104
CAS #	871-91-0
PubChem CID	70100
Appearance	Colorless to light yellow liquid
Density	0.9±0.1 g/cm3
Boiling Point	191.5±23.0 °C at 760 mmHg
Flash Point	116.3±14.9 °C
Vapour Pressure	0.1±0.8 mmHg at 25°C
Index of Refraction	1.455
LogP	1.65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	9
Complexity	88
Defined Atom Stereocenter Count	0
SMILES	C#CCCCCCCO
InChi Key	ATCNYMVVGBLQMQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
Chemical Name	oct-7-yn-1-ol
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]. Modulating the development of E. coli biofilms with 2-aminoimidazoles. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6310-2.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~792.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (19.81 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 (19.81 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 (19.81 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	7.9239 mL	39.6197 mL	79.2393 mL
	5 mM	1.5848 mL	7.9239 mL	15.8479 mL
	10 mM	0.7924 mL	3.9620 mL	7.9239 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.