2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL

The 3,5-Octadiyne-2,7-diol,2,7-dimethyl- is an organic compound with the formula C₁₀H₁₄O₂. The IUPAC name of this chemical is 2,7-Dimethylocta-3,5-diyne-2,7-diol. With the CAS registry number 5929-72-6, it is also named as 2,7-Dimethyl-octa-3,5-diyne-2,7-diol. The categories of the product are Alcohols; Monomers; Polymer Science. Besides, it should be stored in a cool, sealed, dry and lightproof place.

The physical properties of 3,5-Octadiyne-2,7-diol,2,7-dimethyl- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 21; (5)ACD/BCF (pH 7.4): 21; (6)ACD/KOC (pH 5.5): 307.68; (7)ACD/KOC (pH 7.4): 307.68; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 47.38 cm³; (14)Molar Volume: 155.3 cm³; (15)Polarizability: 18.78×10^-24 cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.07 g/cm³; (18)Flash Point: 134 °C; (19)Enthalpy of Vaporization: 60.98 kJ/mol; (20)Boiling Point: 286.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0003 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-Methyl-but-3-yn-2-ol. This reaction will need reagents diisopropylethylamine; ethyl bromoacetate and CuI, catalyst PdCl₂(PPh₃)₂ and solvent tetrahydrofuran. The reaction temperature is 20 °C. The yield is about 99%.

Uses of 3,5-Octadiyne-2,7-diol,2,7-dimethyl-: it and Propane-1-thiol can be used to produce 3-Propylthio-2,7-dimethyl-3-octen-5-yne-2,7-diol at temperature of 15 - 20 °C. It will need reagent NaOH and solvent pyridine with reaction time of 4 hours. The yield is about 95%.

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 protective clothing 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(#CC#CC(O)(C)C)C(O)(C)C
(2)InChI: InChI=1/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3
(3)InChIKey: CKVWIEREOYIKNC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3
(5)Std. InChIKey: CKVWIEREOYIKNC-UHFFFAOYSA-N