Basic information
- Name:
3,4-Epoxycyclohexanecarboxylic acid methyl ester
- CAS No.:
41088-52-2
- Molecular Structure:
- Formula:
- C8H12O3
- Molecular Weight:
- 156.18
- Synonyms:
- 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, methyl ester;Methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;
- Density:
- 1.167 g/cm3
- Boiling Point:
- 210.856 °C at 760 mmHg
- Flash Point:
- 79.776 °C
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Specification
The CAS registry number of 3,4-Epoxycyclohexanecarboxylic acid methyl ester is 41088-52-2. The systematic name is methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate. In addition, the molecular formula is C8H12O3 and the molecular weight is 156.18. It should be stored in a cool and dry place.
Physical properties about 3,4-Epoxycyclohexanecarboxylic acid methyl ester are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 70; (7)ACD/KOC (pH 7.4): 70; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.83 Å2; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 38.279 cm3; (13)Molar Volume: 133.868 cm3; (14)Polarizability: 15.175 ×10-24cm3; (15)Surface Tension: 37.412 dyne/cm; (16)Density: 1.167 g/cm3; (17)Flash Point: 79.776 °C; (18)Enthalpy of Vaporization: 44.714 kJ/mol; (19)Boiling Point: 210.856 °C at 760 mmHg; (20)Vapour Pressure: 0.188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1CC2OC2CC1
(2)InChI: InChI=1/C8H12O3/c1-10-8(9)5-2-3-6-7(4-5)11-6/h5-7H,2-4H2,1H3
(3)InChIKey: QCGKUFZYSPBMAY-UHFFFAOYAX
