2-BUTYNAL DIETHYL ACETAL

The 2-Butyne, 1,1-diethoxy-, with the CAS registry number 2806-97-5, is also known as 1,1-Diethoxy-but-2-yne. This chemical's molecular formula is C₈H₁₄O₂ and molecular weight is 142.19556. Its IUPAC name is called 1,1-diethoxybut-2-yne.

Physical properties of 2-Butyne, 1,1-diethoxy-: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 24.42; (5)ACD/BCF (pH 7.4): 24.42; (6)ACD/KOC (pH 5.5): 342.77; (7)ACD/KOC (pH 7.4): 342.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.43; (11)Molar Refractivity: 40.56 cm³; (12)Molar Volume: 156.9 cm³; (13)Surface Tension: 29.3 dyne/cm; (14)Density: 0.905 g/cm³; (15)Flash Point: 55.6 °C; (16)Enthalpy of Vaporization: 40.38 kJ/mol; (17)Boiling Point: 184.8 °C at 760 mmHg; (18)Vapour Pressure: 0.984 mmHg at 25°C.

Preparation of 2-Butyne, 1,1-diethoxy-: this chemical can be prepared by 1,1,2-tribromo-2-methylcyclopropane and ethanol. This reaction will need reagent 1,8-diazabicyclo<5.4.0>undec-7-ene. The reaction time is 24 hours. The yield is about 67%.

Uses of 2-Butyne, 1,1-diethoxy-: it can be used to produce 1,1-bis-methylselanyl-but-2-yne with triselenoboric acid trimethyl ester at temperature of -20 °C. This reaction will need reagent BF₃•Et₂O and solvent CHCl₃ with reaction time of 24 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(C#CC)OCC
(2)InChI: InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3
(3)InChIKey: FKKVKKSEVMQYER-UHFFFAOYSA-N