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| CAS No.: | 6917-35-7 |
|---|---|
| Name: | Cyclohexane-1,2,3,4,5,6-hexol |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C6H12O6 |
| Molecular Weight: | 180.158 |
| Synonyms: | 1,2,3,4,5,6-Cyclohexanehexol;NSC 25142;NSC 404118;NSC 8101;Inositol [Nonspecific isomer];Inositol; |
| EINECS: | 230-024-9 |
| Density: | 2.039 g/cm3 |
| Melting Point: | 222-227oC(lit.) |
| Boiling Point: | 291.326 °C at 760 mmHg |
| Flash Point: | 143.387 °C |
| Solubility: | 14 g/100 mL (25℃) |
| PSA: | 121.38000 |
| LogP: | -3.83460 |
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Specification
The Cyclohexane-1,2,3,4,5,6-hexol, with the CAS registry number 6917-35-7, is also known as Inositol. It belongs to the product category of Inositol. Its EINECS number is 230-024-9. This chemical's molecular formula is C6H12O6 and formula weight is 180.16. What's more, its IUPAC name is cyclohexane-1,2,3,4,5,6-hexol. Its classification codes are: (1)Growth Substances; (2)Micronutrients; (3)Vitamin B Complex; (4)Vitamins.
Physical properties of Cyclohexane-1,2,3,4,5,6-hexol are: (1)ACD/LogP: -3.86; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 121.38 Å2; (7)Index of Refraction: 1.784; (8)Molar Refractivity: 37.213 cm3; (9)Molar Volume: 88.375 cm3; (10)Surface Tension: 101.602 dyne/cm; (11)Density: 2.039 g/cm3; (12)Flash Point: 143.387 °C; (13)Enthalpy of Vaporization: 61.583 kJ/mol; (14)Boiling Point: 291.326 °C at 760 mmHg.
Preparation: this chemical can be prepared by O2-methyl-1L-chiro-inositol by heating. This reaction will need reagent 47% aq. HI with the reaction time of 2 hours. The yield is about 80%.
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Uses of Cyclohexane-1,2,3,4,5,6-hexol: it can be used to produce 1D-O1,O2;O5,O6-diisopropylidene-chiro-inositol by heating. It will need reagent p-TsOH and solvent ethyl acetate. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
(2)InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
(3)InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N
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