| Identification | More | [Name]
TRANS-1,2-CYCLOHEXANEDIOL | [CAS]
1460-57-7 | [Synonyms]
TRANS-1,2-CYCLOHEX AND IOL
(+/-)-TRANS-1,2-CYCLOHEXANEDIOL
TRANS-1,2-CYCLOHEXANEDIOL
TRANS-1,2-CYCLOHEXANEDIOLE
TRANS-1,2-CYCLOHEXYLENE GLYCOL
TRANS-1,2-DIHYDROXYCYCLOHEXANE
TRANS-HEXAHYDROPYROCATECHOL
1,2-trans-Cyclohexanediol
1,2-Cyclohexanediol-trans
ca.98%
Cyclohexanediole
Hexahydrocatechol
trans-cyclohexane-1,2-diol
#ntrans-1,2-Cyclohexanediol
1,2-Cyclohexanediol, (1R,2R)-rel-
trans-hexahydrobrenzkatechin
rel-(1S*,2S*)-1,2-Cyclohexanediol
rel-(1S*,2S*)-Cyclohexane-1,2-diol
rel-1β*,2α*-Dihydroxycyclohexane | [EINECS(EC#)]
215-956-6 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00063611 | [Molecular Weight]
116.16 | [MOL File]
1460-57-7.mol |
| Chemical Properties | Back Directory | [Appearance]
OFF-WHITE CRYSTALS OR CRYSTALLINE POWDER | [Melting point ]
101-104 °C(lit.)
| [Boiling point ]
117 °C (12.7517 mmHg)
| [density ]
0.9958 (rough estimate) | [vapor pressure ]
4 hPa (110 °C) | [refractive index ]
1.4270 (estimate) | [Fp ]
134 °C
| [storage temp. ]
Store below +30°C. | [solubility ]
Soluble in chloroform and methanol. | [form ]
Crystals or Crystalline Powder | [pka]
14.49±0.40(Predicted) | [color ]
Off-white | [BRN ]
3193810 | [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 | [CAS DataBase Reference]
1460-57-7(CAS DataBase Reference) | [NIST Chemistry Reference]
1,2-Cyclohexanediol, trans-(1460-57-7) | [EPA Substance Registry System]
1460-57-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Autoignition Temperature]
360 °C | [HS Code ]
29061990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
OFF-WHITE CRYSTALS OR CRYSTALLINE POWDER | [Uses]
trans-1,2-Cyclohexanediol is used as an organic chemical synthesis intermediate. | [Definition]
ChEBI: A cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds. | [Purification Methods]
Crystallise the diol from Me2CO and dry it at 50o for several days. It can also be recrystallised from CCl4 or EtOAc and it can be distilled. The 2,4-dinitrobenzoyl derivative has m 179o. [Winstein & Buckles J Am Chem Soc 64 2780 1942.] [Beilstein 6 IV 5194.] |
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