| Identification | |
| Name: | Benzeneacetic acid, a-cyclohexyl-a-hydroxy-, methyl ester |
| Synonyms: | Cyclohexaneglycolicacid, a-phenyl-, methyl ester(6CI,7CI,8CI);Methyl 2-hydroxy-2-cyclohexyl-2-phenylacetate;Methyl a-cyclohexyl-a-phenylglycolate;Methyl a-cyclohexylmandelate; |
| CAS: | 10399-13-0 |
| EINECS: | 233-862-3 |
| Molecular Formula: | C15H20O3 |
| Molecular Weight: | 248.32 |
| InChI: | InChI=1/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.13 g/cm3 |
| Refractive index: | 1.54 |
| Appearance: | Light yellow oil |
| Specification: |
The Methyl cyclohexylphenylglycolate with cas registry number of 10399-13-0 is also known as Methyl 2-cyclohexyl-2-hydroxyphenylacetate. Its systematic name is called methyl cyclohexyl(hydroxy)phenylacetate. And its IUPAC name is also called methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate. This chemical belongs to the categorie of various intermediates; intermediates with EINECS registry number of 233-862-3. Its appearance is light yellow oil. Physical properties about this chemical are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 192.92; (6)ACD/BCF (pH 7.4): 192.92; (7)ACD/KOC (pH 5.5): 1504.81; (8)ACD/KOC (pH 7.4): 1504.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 68.98 cm3; (15)Molar Volume: 219.6 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 152.9 °C; (19)Enthalpy of Vaporization: 65.48 kJ/mol; (20)Boiling Point: 373.4 °C at 760 mmHg; (21)Vapour Pressure: 3.08E-06 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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