| Identification | More | [Name]
1,3-Cyclohexanediol | [CAS]
504-01-8 | [Synonyms]
1,3-CYCLOHEXANEDIOL
1,3-DIHYDROXYCYCLOHEXANE
CIS 1,3-CYCLOHEXANEDIOL
CYCLOHEXANE-1,3-DIOL
HEXAHYDRORESORCINOL
RESORCITOL
1,3-Benzenediol, hexahydro-
1,3-Cyclohexanediol cis+trans
1,3-Cyclohexanediol cis-trans
1,3-Cyclohexanediol,c&t
Heahydroresorcinol
Resoreitol
1,3-CYCLOHEXANEDIOL, 98%, MIXTURE OF CIS AND TRANS
1,3-Cyclohexanedione99%
1,3-Cyclohexanediol, mixture of cis and trans, 98%
1,3-CYCLOHEXANEDIOL, (CIS-AND TRANS-MIXTURE) 99+%
1,3-Cyclohexanediol (cis-and trans-mixture)
(1S)-Cyclohexane-1α,3β-diol | [EINECS(EC#)]
207-979-5 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD07995046 | [Molecular Weight]
116.16 | [MOL File]
504-01-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear slightly yellow viscous liquid after melting | [Melting point ]
30 °C | [Boiling point ]
246-247 °C(lit.) | [density ]
0.9958 (rough estimate) | [refractive index ]
1.495-1.497
| [Fp ]
>230 °F
| [form ]
Viscous Liquid After Melting | [pka]
14.70±0.40(Predicted) | [color ]
Clear slightly yellow | [Water Solubility ]
Soluble in water. | [BRN ]
2036654 | [InChI]
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2 | [InChIKey]
RLMGYIOTPQVQJR-UHFFFAOYSA-N | [SMILES]
C1(O)CCCC(O)C1 | [CAS DataBase Reference]
504-01-8(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3-Cyclohexanediol(504-01-8) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319-H335 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
36/37 | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29061900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear slightly yellow viscous liquid after melting | [Uses]
1,3-Cyclohexanediol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. | [Synthesis]
General procedure: Example 3
To a reaction vessel, 510 mg (13.5 mmol) of sodium borohydride, 8 mL of tetrahydrofuran, 209 μL (1.63 mmol) of n-nonane, and 650 mg (6.8 mmol) of magnesium chloride were sequentially added, and the reaction mixture was stirred for 24 hours at room temperature. Subsequently, 9.8 mL of a tetrahydrofuran solution containing 1.11 g (9.9 mmol) of 1,3-cyclohexanedione was slowly added dropwise for 30 minutes. After the titration was completed, the reaction and post-treatment were carried out according to the method of Example 1. Upon completion of the reaction, the formation of cyclohexane-1,3-diol was confirmed by analysis in 97.5% yield. By-products included cyclohexanol (0.2%) and 2-cyclohexen-1-ol (1.2%). | [References]
[1] Patent: US2003/149293, 2003, A1
[2] Patent: US2003/149293, 2003, A1
[3] Patent: US2003/149293, 2003, A1
[4] Patent: US2003/149293, 2003, A1
[5] Patent: US2003/149293, 2003, A1 |
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