CAS No.62007-51-6,1,1,1-tributoxypentane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62007-51-6
Name:	1,1,1-tributoxypentane

Formula:	C₁₇H₃₆O₃
Molecular Weight:	288.47
Synonyms:	1,1,1-Tributoxypentane;
EINECS:	263-367-8
Density:	0.878 g/cm³
Boiling Point:	328 °C at 760 mmHg
Flash Point:	125.5 °C
PSA:	27.69000
LogP:	5.28050

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Specification

The Pentane,1,1,1-tributoxy-, with the CAS registry number 62007-51-6. Its EINECS number is 263-367-8. This chemical's molecular formula is C₁₇H₃₆O₃ and molecular weight is 288.47. What's more, its IUPAC name is 1,1,1-Tributoxypentane.

Physical properties of Pentane,1,1,1-tributoxy- are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 199817.67; (6)ACD/BCF (pH 7.4): 199817.67; (7)ACD/KOC (pH 5.5): 216655.47; (8)ACD/KOC (pH 7.4): 216655.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 86 cm³; (15)Molar Volume: 328.2 cm³; (16)Polarizability: 34.09×10^-24 cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.878 g/cm³; (19)Flash Point: 125.5 °C; (20)Enthalpy of Vaporization: 54.77 kJ/mol; (21)Boiling Point: 328 °C at 760 mmHg; (22)Vapour Pressure: 0.000372 mmHg at 25 °C.

Uses of Pentane,1,1,1-tributoxy-: it can be used to produce 9α-Fluoro-11b,17α,21-trihydroxy-16b-methyl-1,4-pregnadiene-3,6,20-trione 17-valerate at the ambient temperature. It will need reagent 9α-fluoro-11b,17α,21-trihydroxy-16b-methyl-1,4-pregnadiene-3,6,20-trione and solvent 90 percent CH₃COOH aq. with the reaction time of 4 hours. The yield is about 41%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(OCCCC)(OCCCC)OCCCC
(2)InChI: InChI=1S/C17H36O3/c1-5-9-13-17(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
(3)InChIKey: YUIXLOBIXABLRJ-UHFFFAOYSA-N