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| CAS No.: | 134108-92-2 |
|---|---|
| Name: | (1S,2S)-(+)-2-Methoxycyclohexanol |
| Molecular Structure: | |
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| Formula: | C7H14O2 |
| Molecular Weight: | 130.187 |
| Synonyms: | (1S,2S)-(+)-2-METHOXYCYCLOHEXANOL;(1S, 2S)-2-METHOXYCYLOHEXANOL;(1S,2S)-METHOXYCYCLOHEXANOL;S-MOL;(1S,2S)-(+)-2-METHOXYCYCLOHEXANOL: CHIPROS 99%, EE 98% |
| EINECS: | -0 |
| Density: | 0.995 g/cm3 |
| Boiling Point: | 198.037 °C at 760 mmHg |
| Flash Point: | 75.699 °C |
| Hazard Symbols: | R36/38:; |
| Risk Codes: | R36/38 |
| Safety: | S26-36 |
| PSA: | 29.46000 |
| LogP: | 0.93630 |
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Specification
The (1S,2S)-(+)-2-Methoxycyclohexanol with cas registry number of 134108-92-2, has the systematic name of (1S,2S)-2-methoxycyclohexanol. And it is also called cyclohexanol, 2-methoxy-, (1S,2S)-. It refractive index is 1.4595.
Physical properties about this chemical are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.46 Å2; (7)Index of Refraction: 1.457; (8)Molar Refractivity: 35.64 cm3; (9)Molar Volume: 130.782 cm3; (10)Polarizability: 14.129×10-24cm3; (11)Surface Tension: 33.243 dyne/cm; (12)Enthalpy of Vaporization: 50.526 kJ/mol; (13)Vapour Pressure: 0.093 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (1S,2S)-(+)-2-Methoxycyclohexanol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CCCC[C@@H]1OC
(2)InChI: InChI=1/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
(3)InChIKey: DCQQZLGQRIVCNH-BQBZGAKWBA
(4)Std. InChI: InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
(5)Std. InChIKey: DCQQZLGQRIVCNH-BQBZGAKWSA-N