1,3-Dioxane-2-ethanol, b,b,5,5-tetramethyl- supplier

Name
beta,beta,5,5-tetramethyl-1,3-dioxane-2-ethanol
EINECS 7299-86-7
CAS No. 7299-86-7
Article Data8
CAS DataBase
Density 0.987 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀O₃
Boiling Point 250.5 °C at 760 mmHg
Molecular Weight 188.267
Flash Point 120.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms β,β,5,5-Tetramethyl-1,3-dioxane-2-ethanol;
PSA 38.69000
LogP 1.40400

1,3-Dioxane-2-ethanol, b,b,5,5-tetramethyl- Specification

The 1,3-Dioxane-2-ethanol, b,b,5,5-tetramethyl-, with the CAS registry number 7299-86-7, is also known as β,β,5,5-Tetramethyl-1,3-dioxane-2-ethanol. Its EINECS registry number is 230-740-1. This chemical's molecular formula is C₁₀H₂₀O₃ and molecular weight is 188.264. What's more, its IUPAC name is 2-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-methylpropan-1-ol.

Physical properties about 1,3-Dioxane-2-ethanol, b,b,5,5-tetramethyl- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 73.59; (8)ACD/KOC (pH 7.4): 73.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 50.7 cm³; (15)Molar Volume: 190.7 cm³; (16)Polarizability: 20.1×10^-24 cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.987 g/cm³; (19)Flash Point: 120.5 °C; (20)Enthalpy of Vaporization: 56.67 kJ/mol; (21)Boiling Point: 250.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00343 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(C1OCC(CO1)(C)C)(C)C
(2) InChI: InChI=1/C10H20O3/c1-9(2)6-12-8(13-7-9)10(3,4)5-11/h8,11H,5-7H2,1-4H3
(3) InChIKey: ZNPKUZZRGKREJM-UHFFFAOYAT

Product Name

beta,beta,5,5-tetramethyl-1,3-dioxane-2-ethanol

1,3-Dioxane-2-ethanol, b,b,5,5-tetramethyl- Specification

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