2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL

The 2,2,4,4-Tetramethyl-1,3-cyclobutanedio, with the CAS registry number 3010-96-6, is also known as Tetramethyl-1,3-cyclobutanediol. It belongs to the product categories of Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; Organic Building Blocks; Oxygen Compounds; Polyols. Its EINECS registry number is 221-140-0. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. Its IUPAC name is called 2,2,4,4-tetramethylcyclobutane-1,3-diol. What's more, this chemical is white crystalline powder which should be sealed and stored in cool and dry place.

Physical properties of 2,2,4,4-Tetramethyl-1,3-cyclobutanedio: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 3.25; (5)ACD/BCF (pH 7.4): 3.25; (6)ACD/KOC (pH 5.5): 80.97; (7)ACD/KOC (pH 7.4): 80.97; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 40.27 cm³; (13)Molar Volume: 141.7 cm³; (14)Surface Tension: 32.9 dyne/cm; (15)Density: 1.017 g/cm³; (16)Flash Point: 96.8 °C; (17)Enthalpy of Vaporization: 53.11 kJ/mol; (18)Boiling Point: 220.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0238 mmHg at 25°C.

Uses of 2,2,4,4-Tetramethyl-1,3-cyclobutanedio: it can be used to produce 3-oxo-butyric acid 2,2,4,4-tetramethyl-3-(3-oxo-butyryloxy)-cyclobutyl ester at temperature of 150 °C. This reaction will need solvent xylene with reaction time of 30 min. The yield is about 89%.

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. In addition, it is highly flammable. 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(C(C(C1O)(C)C)O)C
(2)InChI: InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3
(3)InChIKey: FQXGHZNSUOHCLO-UHFFFAOYSA-N