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1,2-Cyclohexanediol,(1R,2R)-

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Name

1,2-Cyclohexanediol,(1R,2R)-

EINECS 215-956-6
CAS No. 1072-86-2 Density 1.156 g/cm3
Solubility Melting Point 107-109 °C
Formula C6H12O2 Boiling Point 236.7 °C at 760 mmHg
Molecular Weight 116.16 Flash Point 114.3 °C
Transport Information Appearance white to off-white crystals
Safety 23-24/25 Risk Codes
Molecular Structure Molecular Structure of 1072-86-2 (1,2-Cyclohexanediol,(1R,2R)-) Hazard Symbols
Synonyms

1,2-Cyclohexanediol,(1R,2R)-(-)- (8CI);1,2-Cyclohexanediol, (1R-trans)-;trans-(R,R)-1,2-Cyclohexanediol;(1R,2R)-(-)-1,2-Cyclohexanediol;(1R,2R)-1,2-Cyclohexanediol;(1R,2R)-trans-1,2-Cyclohexanediol;(R,R)-1,2-Cyclohexanediol;(R,R)-trans-1,2-Cyclohexanediol;(-)-trans-Cyclohexane-1,2-diol;(-)-trans-(1R,2R)-1,2-Dihydroxycyclohexane;(-)-trans-1,2-Cyclohexanediol;

 

1,2-Cyclohexanediol,(1R,2R)- Specification

The 1,2-Cyclohexanediol,(1R,2R)-, with the CAS registry number 1072-86-2, is also known as (1R)-trans-1,2-Cyclohexanediol. This chemical's molecular formula is C6H12O2 and molecular weight is 116.16. What's more, its systematic name is called (1R,2R)-Cyclohexane-1,2-diol. It is white to off-white crystals and it should be kept in a airtight, cold and dry place.

Physical properties about 1,2-Cyclohexanediol,(1R,2R)- are: (1) ACD/LogP: 0.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.15; (4) ACD/LogD (pH 7.4): 0.15; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 28.89; (8) ACD/KOC (pH 7.4): 28.89; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 18.46 Å2; (13) Index of Refraction: 1.526; (14) Molar Refractivity: 30.85 cm3; (15) Molar Volume: 100.4 cm3; (16) Surface Tension: 40.7 dyne/cm; (17) Density: 1.156 g/cm3; (18) Flash Point: 114.3 °C; (19) Enthalpy of Vaporization: 55.04 kJ/mol; (20) Boiling Point: 236.7 °C at 760 mmHg; (21) Vapour Pressure: 0.00839 mmHg at 25 °C; (22) Melting Point: 107-109 °C.

Preparation of 1,2-Cyclohexanediol,(1R,2R)-: this chemical can be prepared by 1,2-Epoxy-cyclohexane. This reaction needs reagent I2/Aminopropyl silica gel and solvents Acetonitrile, H2O at temperature of 25 °C. The reaction time is 90 minutes. The yield is 80 %.

Uses of 1,2-Cyclohexanediol,(1R,2R)-: it is used to produce other chemicals. For example, it is used to produce Diethyl-trans-1,2-yclohexanedioxydiacetate. The reaction occurs with reagent BF3·Et2O and solvent CH2Cl2.

When you are dealing with this chemical, you should be very careful. You can not breathe the gas/fumes/vapour/spray. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]1CCCC[C@H]1O
(2) InChI: InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
(3) InChIKey: PFURGBBHAOXLIO-PHDIDXHHBN

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