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| CAS No.: | 2386-87-0 |
|---|---|
| Name: | 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate |
| Article Data: | 7 |
| Cas Database | |
| Molecular Structure: | |
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|
| Formula: | C14H20O4 |
| Molecular Weight: | 252.31 |
| Synonyms: | 3,4-Epoxycyclohexanecarboxylic acid(3,4-epoxycyclohexylmethyl) ester;3,4-Epoxycyclohexanemethyl3,4-epoxycyclohexanecarboxylate;3,4-Epoxycyclohexylmethyl 3',4'-epoxycyclohexanecarboxylate;7-Oxabicyclo[4.1.0]heptan-4-ylmethyl7-oxabicyclo[4.1.0]heptane-4-carboxylate;UP-632 monomer;3,4-Epoxycyclohexylmethyl- 3,4-epoxycyclohexanecarboxylate; |
| EINECS: | 219-207-4 |
| Density: | 1.223 g/cm3 |
| Melting Point: | -37 °C(lit.) |
| Boiling Point: | 363.4 °C at 760 mmHg |
| Flash Point: | 160.5 °C |
| Solubility: | 13.85g/L at 20.2℃ |
| Appearance: | Pale Yellow to Colorless Liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 51.36000 |
| LogP: | 1.80710 |
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3-cyclohexene-1-carboxylic acid 3-cyclohexen-1-ylmethyl ester
- 2386-87-0
3,4-epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
| Conditions | Yield |
|---|---|
| With phosphotungstic acid; trioctylmethylammonium acetate; phosphoric acid; dihydrogen peroxide; sodium carbonate In water; toluene at 50℃; for 15h; Inert atmosphere; | 94% |
| With 1H-imidazole; tristetrahexylammonium tetrakis(diperoxotungsto) phosphate; dihydrogen peroxide In water; acetonitrile at 49.84℃; under 760.051 Torr; for 24h; Reagent/catalyst; Inert atmosphere; | 82% |
| With dihydrogen peroxide; acetonitrile; triethylamine In water at 60℃; for 10h; Conversion of starting material; | 46% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In neat (no solvent) at 100℃; for 12h; chemoselective reaction; | 99% |
| Conditions | Yield |
|---|---|
| With calcium iodide In neat (no solvent) at 90℃; under 37503.8 Torr; for 48h; diastereoselective reaction; | 98% |
| Conditions | Yield |
|---|---|
| With benzyltrimethylammonium chloride; 4-methoxy-phenol at 100℃; for 24h; | 81% |
| Conditions | Yield |
|---|---|
| at 97 - 100℃; for 3h; |
- 2386-87-0
3,4-epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
| Conditions | Yield |
|---|---|
| With CD-1012 near-IR femtosecond irradiation; |
- 2386-87-0
3,4-epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
| Conditions | Yield |
|---|---|
| With CD-1010 near-IR femtosecond irradiation; |
- 2386-87-0
3,4-epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
| Conditions | Yield |
|---|---|
| With (4-iPr-phenyl)-4'-methylphenyliodonium (C6F5)4-gallate Kinetics; Further Variations:; Reagents; UV-irradiation; |
- 108-32-7
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- 2386-87-0
3,4-epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
| Conditions | Yield |
|---|---|
| Cr3+ catalyst at 75 - 94℃; for 3h; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
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. |