3-Butyn-2-ol (2028-63-9)

The IUPAC name of 1-Ethynylethanol is but-3-yn-2-ol. With the CAS registry number 2028-63-9, it is also named as 1-Methyl-2-propynyl alcohol. The product's categories are Aliphatics; Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal. It is clear colorless to light yellow liquid which is highly toxic and flammable by fire, heat and oxidants. When buring it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep 1-Ethynylethanol separate from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.84; (8)ACD/KOC (pH 7.4): 22.84; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 19.9 cm³; (14)Molar Volume: 76.2 cm³; (15)Polarizability: 7.88×10^-24 cm³; (16)Surface Tension: 34.2 dyne/cm; (17)Enthalpy of Vaporization: 39.99 kJ/mol; (18)Vapour Pressure: 17.3 mmHg at 25°C ; (19)Exact Mass: 70.041865 ; (20)MonoIsotopic Mass: 70.041865 ; (21)Topological Polar Surface Area: 20.2 ; (22)Heavy Atom Count: 5 ; (23)Complexity: 57.3.

Uses of 1-Ethynylethanol: It reacts with acetyl chloride to get acetic acid-(1-methyl-prop-2-ynyl ester). This reaction needs reagent pyridine.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:C#CC(O)C
2. InChI:InChI=1/C4H6O/c1-3-4(2)5/h1,4-5H,2H3 
3. InChIKey:GKPOMITUDGXOSB-UHFFFAOYAW

The following are the toxicity data which has been tested.

The IUPAC name of 1-Ethynylethanol is but-3-yn-2-ol. With the CAS registry number 2028-63-9, it is also named as 1-Methyl-2-propynyl alcohol. The product's categories are Aliphatics; Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal. It is clear colorless to light yellow liquid which is highly toxic and flammable by fire, heat and oxidants. When buring it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep 1-Ethynylethanol separate from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.84; (8)ACD/KOC (pH 7.4): 22.84; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 19.9 cm³; (14)Molar Volume: 76.2 cm³; (15)Polarizability: 7.88×10^-24 cm³; (16)Surface Tension: 34.2 dyne/cm; (17)Enthalpy of Vaporization: 39.99 kJ/mol; (18)Vapour Pressure: 17.3 mmHg at 25°C ; (19)Exact Mass: 70.041865 ; (20)MonoIsotopic Mass: 70.041865 ; (21)Topological Polar Surface Area: 20.2 ; (22)Heavy Atom Count: 5 ; (23)Complexity: 57.3.

Uses of 1-Ethynylethanol: It reacts with acetyl chloride to get acetic acid-(1-methyl-prop-2-ynyl ester). This reaction needs reagent pyridine.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:C#CC(O)C
2. InChI:InChI=1/C4H6O/c1-3-4(2)5/h1,4-5H,2H3 
3. InChIKey:GKPOMITUDGXOSB-UHFFFAOYAW

The following are the toxicity data which has been tested.