Name: 1,4-Cyclohexanedimethanol bis(3,4-epoxycyclohexanecarboxylate)
SKU: 20249-12-1

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Basic Information

Molecular Structure:
CAS No.:	20249-12-1
Name:	1,4-Cyclohexanedimethanol bis(3,4-epoxycyclohexanecarboxylate)

Formula:	C₂₂H₃₂O₆
Molecular Weight:	392.492
Synonyms:	7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 1,4-cyclohexanediylbis(methylene) ester;Cyclohexane-1,4-diylbis(methylene) bis(7-oxabicyclo[4.1.0]heptane-3-carboxylate);
Density:	1.203 g/cm³
Boiling Point:	504.3 °C at 760 mmHg
Flash Point:	218.5 °C
PSA:	77.66000
LogP:	3.01420

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Specification

The systematic name of 1,4-Cyclohexanedimethanol bis(3,4-epoxycyclohexanecarboxylate) is cyclohexane-1,4-diyldimethanediyl bis(7-oxabicyclo[4.1.0]heptane-3-carboxylate). With the CAS registry number 20249-12-1, it is also named as 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 1,4-cyclohexanediylbis(methylene) ester. The product's category is Epoxy Resin. In addition, its molecular formula is C₂₂H₃₂O₆ and its molecular weight is 392.49.

The other characteristics of 1,4-Cyclohexanedimethanol bis(3,4-epoxycyclohexanecarboxylate) can be summarized as: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.28; (6)ACD/BCF (pH 7.4): 282.28; (7)ACD/KOC (pH 5.5): 1976.08; (8)ACD/KOC (pH 7.4): 1976.08; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 77.66 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 100.25 cm³; (15)Molar Volume: 326.2 cm³; (16)Polarizability: 39.74×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 218.5 °C; (20)Enthalpy of Vaporization: 77.37 kJ/mol; (21)Boiling Point: 504.3 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC3CCC(COC(=O)C1CCC2OC2C1)CC3)C4CC5OC5CC4
(2)InChI: InChI=1/C22H32O6/c23-21(15-5-7-17-19(9-15)27-17)25-11-13-1-2-14(4-3-13)12-26-22(24)16-6-8-18-20(10-16)28-18/h13-20H,1-12H2
(3)InChIKey: NRJLSUZLHMXXHJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C22H32O6/c23-21(15-5-7-17-19(9-15)27-17)25-11-13-1-2-14(4-3-13)12-26-22(24)16-6-8-18-20(10-16)28-18/h13-20H,1-12H2
(5)Std. InChIKey: NRJLSUZLHMXXHJ-UHFFFAOYSA-N