Name: 2,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
SKU: 269410-25-5

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Basic Information

Molecular Structure:
CAS No.:	269410-25-5
Name:	2,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
Article Data:	2

Formula:	C₁₄H₂₁BO₃
Molecular Weight:	248.13
Synonyms:	2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;2,6-Dimethylphenol-4-boronic acid pinacol ester;4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol ester;
Density:	1.06 g/cm³
Melting Point:	100-105 °C(lit.)
Boiling Point:	367.3 °C at 760 mmHg
Flash Point:	176 °C
Solubility:	Insoluble in water
Appearance:	White to beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	38.69000
LogP:	2.30820

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Specification

The CAS register number of Phenol,2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 269410-25-5. It also can be called as 4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol ester and the IUPAC name about this chemical is 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. The molecular formula about this chemical is C₁₄H₂₁BO₃ and the molecular weight is 248.13. It belongs to the following product categories which include Phenoles and thiophenoles; Heterocyclic Compounds; B (Classes of Boron Compounds); Boronic Acids Esters and so on.

Physical properties about Phenol,2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.69 Å²; (5)Index of Refraction: 1.512; (6)Molar Refractivity: 70.23 cm³; (7)Molar Volume: 234 cm³; (8)Polarizability: 27.84x10^-24cm³; (9)Surface Tension: 36 dyne/cm; (10)Density: 1.06 g/cm³; (11)Flash Point: 176 °C; (12)Enthalpy of Vaporization: 63.8 kJ/mol; (13)Boiling Point: 367.3 °C at 760 mmHg; (14)Vapour Pressure: 6.51E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry places, avoid contact with oxide, compatible material and the storage temperature of this chemical is below 4 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cc(c(O)c(c2)C)C
(2)InChI: InChI=1/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
(3)InChIKey: TYCKOBOJYNRIBO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
(5)Std. InChIKey: TYCKOBOJYNRIBO-UHFFFAOYSA-N