2-OCTYNAL DIETHYL ACETAL 98

The 1,1-Diethoxyoct-2-yne is an organic compound with the formula C₁₂H₂₂O₂. The IUPAC name of this chemical is 1,1-Diethoxyoct-2-yne. With the CAS registry number 16387-55-6, it is also named as 2-Octynal diethyl acetal. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about 1,1-Diethoxyoct-2-yne are: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 4.25; (3)ACD/LogD (pH 7.4): 4.25; (4)ACD/BCF (pH 5.5): 1007.16; (5)ACD/BCF (pH 7.4): 1007.16; (6)ACD/KOC (pH 5.5): 4911.55; (7)ACD/KOC (pH 7.4): 4911.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 59.09 cm³; (13)Molar Volume: 223 cm³; (14)Polarizability: 23.42×10^-24 cm³; (15)Surface Tension: 30.5 dyne/cm; (16)Density: 0.889 g/cm³; (17)Flash Point: 98.3 °C; (18)Enthalpy of Vaporization: 45.9 kJ/mol; (19)Boiling Point: 241.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0557 mmHg at 25 °C.

Preparation: this chemical can be prepared by Triethoxymethane. This reaction will need reagents sodium iodide; zinc chloride. The reaction time is 4 hours. The yield is about 70.2%.

Uses of 1,1-Diethoxyoct-2-yne: it can be used to produce 3-Butyl-1-ethoxy-octa-1,2-diene. It will need reagent 5 percent CuBr•Me₂S and solvent diethyl ether with reaction time of 3 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3
(2)InChIKey: YKXAYRBNHIHDSI-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3
(4)Std. InChIKey: YKXAYRBNHIHDSI-UHFFFAOYSA-N