3-Butyn-1-ol is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research. 3-Butyn-1-ol 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	C4H6O
Molecular Weight	70.09
Exact Mass	70.041
CAS #	927-74-2
PubChem CID	13566
Appearance	Colorless to light yellow liquid
Density	0.9±0.1 g/cm3
Boiling Point	130.1±13.0 °C at 760 mmHg
Melting Point	−63.6 °C(lit.)
Flash Point	36.1±0.0 °C
Vapour Pressure	4.4±0.5 mmHg at 25°C
Index of Refraction	1.439
LogP	-0.01
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Complexity	47.9
Defined Atom Stereocenter Count	0
SMILES	C#CCCO
InChi Key	OTJZCIYGRUNXTP-UHFFFAOYSA-N
InChi Code	InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
Chemical Name	but-3-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

Targets	Human Endogenous Metabolite
ln Vitro	utilized in the production of lubricants, acetylates, plasticizers, spices, and other products. utilized in medication production as well.
Additional Infomation	But-3-yn-1-ol is a terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group. It is a terminal acetylenic compound and a member of butyn-1-ols.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (1426.74 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (35.67 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 (35.67 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	14.2674 mL	71.3369 mL	142.6737 mL
	5 mM	2.8535 mL	14.2674 mL	28.5347 mL
	10 mM	1.4267 mL	7.1337 mL	14.2674 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.