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| CAS No.: | 643-12-9 |
|---|---|
| Name: | D-chiro-Inositol |
| Molecular Structure: | |
 |
|
| Formula: | C6H12O6 |
| Molecular Weight: | 180.16 |
| Synonyms: | Inositol,D-chiro- (8CI);(+)-chiro-Inositol;D-(+)-chiro-Inositol;D-Inositol; |
| EINECS: | 211-394-0 |
| Density: | 2.038 g/cm3 |
| Melting Point: | 230 °C |
| Boiling Point: | 291.326 °C at 760 mmHg |
| Flash Point: | 143.387 °C |
| Solubility: | 403.4g/L(11 oC) |
| Appearance: | off-white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 24/25-36-26 |
| Transport Information: | |
| PSA: | 121.38000 |
| LogP: | -3.83460 |
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The D-(+)-Chiro-Inositol, with the CAS registry number 643-12-9, is also known as Mesoinositol. It belongs to the product categories of Pharmaceuticals; Food and Feed Additive; Miscellaneous Natural Products; All Inositols; Biochemistry; Sugars; Vitamin Related Compounds; Vitamins; Inositols. Its EINECS registry number is 211-394-0. This chemical's molecular formula is C6H12O6 and molecular weight is 180.16. Its IUPAC name is called cyclohexane-1,2,3,4,5,6-hexol. This chemical is off-white powder.
Physical properties of D-(+)-Chiro-Inositol: (1)ACD/LogP: -3.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.784; (13)Molar Refractivity: 37.213 cm3; (14)Molar Volume: 88.375 cm3; (15)Surface Tension: 101.602 dyne/cm; (16)Density: 2.039 g/cm3; (17)Flash Point: 143.387 °C; (18)Enthalpy of Vaporization: 61.583 kJ/mol; (19)Boiling Point: 291.326 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,3-diphenyl-octahydro-benzo[1,4]dioxine-5,6,7,8-tetraol. This reaction will need reagent H2, HCl and solvent H2O, ethanol. The reaction time is 1 hour with ambient temperature. The yield is about 82%.
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Uses of D-(+)-Chiro-Inositol: it can be used to produce 2,3:4,5-bis-O-(tetraisopropyldisiloxane-1,3-diyl)-D-chiro-inositol. This reaction is a kind of silylation. It will need reagent imidazole and solvent dimethylformamide with reaction time of 3.5 hours. The yield is about 76%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. You should avoid contacting it with skin and eyes. In case of contact with eyes, you must rinse immediately with plenty of water and seek medical advice. Whever you will contact it, please wear suitable protective clothing.
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
