CAS No.5416-55-7,2 2 6 6-TETRAKIS(HYDROXYMETHYL)CYCLOHEX& Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5416-55-7
Name:	2 2 6 6-TETRAKIS(HYDROXYMETHYL)CYCLOHEX&
Article Data:	9

Formula:	C₁₀H₂₀O₅
Molecular Weight:	220.266
Synonyms:	1,1,3,3-Tetra(hydroxymethyl)cyclohexan-2-ol;2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol;2,2,6,6-Tetramethylolcyclohexanol;2-Hydroxy-1,1,3,3-cyclohexanetetramethanol;NSC 6836;
EINECS:	226-511-0
Density:	1.261 g/cm³
Melting Point:	123-127 °C
Boiling Point:	441.6 °C at 760 mmHg
Flash Point:	219.1 °C
PSA:	101.15000
LogP:	-1.52680

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Specification

The 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy-, with the CAS registry number 5416-55-7, is also known as 1, 1, 3, 3-Tetra(hydroxymethyl)cyclohexan-2-ol. Its EINECS registry number is 226-511-0. This chemical's molecular formula is C₁₀H₂₀O₅ and molecular weight is 220.26. What's more, its IUPAC name is 2, 2, 6, 6-Tetrakis(hydroxymethyl)cyclohexan-1-ol.

Physical properties about 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy- are: (1)ACD/LogP: -2.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 53.98 cm³; (15)Molar Volume: 174.5 cm³; (16)Polarizability: 21.4×10^-24 cm³; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 219.1 °C; (20)Enthalpy of Vaporization: 80.67 kJ/mol; (21)Boiling Point: 441.6 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-09 mmHg at 25 °C.

Preparation of 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy-: this chemical is prepared by reaction of Cyclohexanone with Formaldehyde. The yield is about 71 %.

The 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy- can be obtained by Cyclohexanone and Formaldehyde.

Uses of 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy-: it is used to produce other chemicals. For example, it is used to produce 3, 3, 11, 11-Tetramethyl-2, 4, 10, 12-tetraoxa-dispiro[5.1.5.3]hexadecan-7-ol. The reaction needs reagent TsOH. Meanwhile, it needs solvents CHCl₃ and Acetonitrile. The reaction time is 0.5 hour. The yield is about 65 %.

The 1, 1, 3, 3-Cyclohexanetetramethanol, 2-hydroxy- can react with Propan-2-one and 2, 4, 6-Trinitro-phenol; sodium salt to get 3, 3, 11, 11-Tetramethyl-2, 4, 10, 12-tetraoxa-dispiro[5.1.5.3]hexadecan-7-ol.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1(CCCC(CO)(CO)C1O)CO
(2) InChI: InChI=1S/C10H20O5/c11-4-9(5-12)2-1-3-10(6-13,7-14)8(9)15/h8,11-15H,1-7H2
(3) InChIKey: ICVIFRMLTBUBGF-UHFFFAOYSA-N