CAS No.63500-71-0,2-ISOBUTYL-4-HYDROXY-4-METHYLTETRAHYDROPYRAN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63500-71-0
Name:	2-ISOBUTYL-4-HYDROXY-4-METHYLTETRAHYDROPYRAN
Article Data:	5

Formula:	C₁₀H₂₀O₂
Molecular Weight:	172.268
Synonyms:	2-(2-Methylpropyl)-4-hydroxy-4-methyltetrahydropyran;2-Isobutyl-4-hydroxy-4-methyltetrahydropyran;4-Hydroxy-4-methyl-2-(2-methylpropyl)tetrahydropyran;Florosa;Rozanol;
EINECS:	405-040-6
Density:	0.936 g/cm³
Boiling Point:	243 °C at 760 mmHg
Flash Point:	88 °C
Solubility:	23g/L at 23℃
Appearance:	clear colourless liquid
PSA:	29.46000
LogP:	1.96250

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Specification

The 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)-, with the CAS registry number 63500-71-0, is also known as 2-Isobutyl-4-methyltetrahydro-2H-pyran-4-ol. Its EINECS registry number is 405-040-6. This chemical's molecular formula is C₁₀H₂₀O₂ and molecular weight is 172.26. What's more, its IUPAC name is 4-Methyl-2-(2-methylpropyl)oxan-4-ol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)- are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.64; (6)ACD/BCF (pH 7.4): 19.64; (7)ACD/KOC (pH 5.5): 293.21; (8)ACD/KOC (pH 7.4): 293.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 49.41 cm³; (15)Molar Volume: 183.8 cm³; (16)Polarizability: 19.59×10^-24 cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.936 g/cm³; (19)Flash Point: 88 °C; (20)Enthalpy of Vaporization: 55.79 kJ/mol; (21)Boiling Point: 243 °C at 760 mmHg; (22)Vapour Pressure: 0.00557 mmHg at 25 °C.

Preparation of 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)-: this chemical is prepared by 4-Chloro-2-isobutyl-4-methyl-tetrahydro-pyran. The reaction needs reagent 30 % Hydrogen peroxide. The reaction time is 24 hours with reaction temperature of 50-60 °C. The yield is about 61 %.

The 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)- can be obtained by 4-Chloro-2-isobutyl-4-methyl-tetrahydro-pyran.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1(C)CC(OCC1)CC(C)C
(2) InChI: InChI=1/C10H20O2/c1-8(2)6-9-7-10(3,11)4-5-12-9/h8-9,11H,4-7H2,1-3H3
(3) InChIKey: YVSNOTITPICPTB-UHFFFAOYAH