The 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate, with the CAS registry number 2386-87-0, is also known as 7-Oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.It belongs to the product Epoxide Monomers; Monomers; Polymer Science.Its EINECS number is 219-207-4. This chemical's molecular formula is C14H20O4 and molecular weight is 252.306. What's more,Its systematic name is 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate.3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate may cause damage to health. It is irritating. And it May cause sensitization by skin contact. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
Physical properties about 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate are:
(1)ACD/LogP: 1.593; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.57; (6)ACD/BCF (pH 7.4): 9.57; (7)ACD/KOC (pH 5.5): 175.30; (8)ACD/KOC (pH 7.4): 175.30; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 63.619 cm3; (14)Molar Volume: 206.147 cm3 ; (15)Surface Tension: 42.6389999389648 dyne/cm; (16)Density: 1.224 g/cm3; (17)Flash Point: 160.467 °C; (18)Enthalpy of Vaporization: 60.95 kJ/mol; (19)Boiling Point: 363.438 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OCC1CC2OC2CC1)C4CCC3OC3C4;
(2)Std. InChI:InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2;
(3)Std. InChIKey:YXALYBMHAYZKAP-UHFFFAOYSA-N.
The toxicity data of 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
rabbit | LD50 | skin | 20mL/kg (20mL/kg) | | Personal Communication from T.J. Cawley, Union Carbide Corporation, 39 Old Ridgebury Road, Danbury, CT 08817-0001, Jun. 21, 1993Vol. JUN21, Pg. 1993, |
rat | LD50 | oral | 4490mg/kg (4490mg/kg) | | American Industrial Hygiene Association Journal. Vol. 24, Pg. 305, 1963. |