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Cas Database |
| Name |
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester |
EINECS | 604-569-1 |
| CAS No. | 147126-62-3 | Density | 1.16 g/cm3 |
| PSA | 81.06000 | LogP | 2.39830 |
| Solubility | N/A | Melting Point |
99-1010C |
| Formula | C14H24O4S | Boiling Point | 402.3 °C at 760 mmHg |
| Molecular Weight | 288.408 | Flash Point | 197.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate;1,3-Oxathiolane-2-carboxylicacid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1a(2R*,5R*),2b,5a]]-; |
Article Data | 6 |
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester Specification
The (2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester is an organic compound with the formula C14H24O4S. The systematic name of this chemical is (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate. With the CAS registry number 147126-62-3, it is also named as (IR,2S,5R)-Menthyl-5R-Hydroxy-1,3-Oxathiolane-2R-Carboxylate. Additionally, this chemical must sealed in the container and avoided direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 81.06 ?2; (9)Index of Refraction: 1.526; (10)Molar Refractivity: 75.79 cm3; (11)Molar Volume: 246.6 cm3; (12)Polarizability: 30.04×10-24 cm3; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.16 g/cm3; (15)Flash Point: 197.1 °C; (16)Enthalpy of Vaporization: 75.53 kJ/mol; (17)Boiling Point: 402.3 °C at 760 mmHg; (18)Vapour Pressure: 3.79E-08 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:CC1CCC(C(C1)OC(=O)C2OC(CS2)O)C(C)C
2. InChI:InChI=1/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12-,14-/m1/s1
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