2-Octyn-1-ol (20739-58-6)

The CAS register number of 2-Octyn-1-ol is 20739-58-6. It also can be called as Oct-2-yn-1-ol and the IUPAC name about this chemical is oct-2-yn-1-ol. The molecular formula about this chemical is C₈H₁₄O and the molecular weight is 126.20. It belongs to the following product categories, such as Alkynes; Internal; Organic Building Blocks and so on.

Physical properties about 2-Octyn-1-ol are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.24; (5)ACD/BCF (pH 7.4): 30.24; (6)ACD/KOC (pH 5.5): 399.39; (7)ACD/KOC (pH 7.4): 399.39; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23Ų; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 38.65 cm³; (14)Molar Volume: 141.4 cm³; (15)Polarizability: 15.32x10^-24cm³; (16)Surface Tension: 35.5 dyne/cm; (17)Enthalpy of Vaporization: 45.35 kJ/mol; (18)Boiling Point: 152.5 °C at 760 mmHg; (19)Vapour Pressure: 1.3 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-oct-2-ynyloxy-tetrahydro-pyran. This reaction will need reagent p-toluenesulfonic acid and solvent methanol. The yield is about 88%.

Uses of 2-Octyn-1-ol: it can be used to produce 1-chloro-oct-2-yne. This reaction will need reagent diethyl ether, pyridine and PCl₃.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and 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)SMILES: C(#CCO)CCCCC
(2)InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3
(3)InChIKey: TTWYFVOMGMBZCF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3
(5)Std. InChIKey: TTWYFVOMGMBZCF-UHFFFAOYSA-N