ChemicalBook--->CAS DataBase List--->1072-86-2

1072-86-2

1072-86-2 Structure

1072-86-2 Structure
IdentificationBack Directory
[Name]

(1R,2R)-TRANS-1,2-CYCLOHEXANEDIOL
[CAS]

1072-86-2
[Synonyms]

(1R,2R)-1,2-Cyclohexanediol-
(R,R)-(-)-1,2-CYCLOHEXANEDIOL
(1R)-TRANS-1,2-CYCLOHEXANEDIOL
[1R,2R,(-)]-1,2-Cyclohexanediol
(1R,2R)-TRANS-1,2-CYCLOHEXANEDIOL
(1R,2R)-trans-1,2-Cyclohexanediol,98%
(1R,2R)-TRANS-1,2-CYCLOHEXANEDIOL 98%
(1R,2R)-(-)-TRANS-1,2-CYCLOHEXANEDIOLFLU KABRAND CH
(1R,2R)-TRANS-1,2-CYCLOHEXANEDIOL, 99% ( 99% EE/GLC)
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00066430
[MOL File]

1072-86-2.mol
[Molecular Weight]

116.16
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystals
[Melting point ]

107-109 °C(lit.)
[Boiling point ]

177.22°C (rough estimate)
[density ]

0.9958 (rough estimate)
[refractive index ]

1.4270 (estimate)
[Fp ]

134 °C
[storage temp. ]

2-8°C
[pka]

14.49±0.40(Predicted)
[Optical Rotation]

[α]20/D 39°, c = 1.6 in H2O
[BRN ]

4780913
[InChI]

1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
[InChIKey]

PFURGBBHAOXLIO-PHDIDXHHSA-N
[SMILES]

O[C@@H]1CCCC[C@H]1O
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystals
[Definition]

ChEBI: Trans-cyclohexane-1,2-diol is a cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds. It has a role as a human xenobiotic metabolite.
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[HS Code ]

29061990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

(1R,2R)-TRANS-1,2-CYCLOHEXANEDIOL(1072-86-2)1HNMR
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