CAS No.643-12-9,D-(+)-CHIRO-INOSITOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	643-12-9
Name:	D-(+)-CHIRO-INOSITOL
Article Data:	27

Formula:	C₆H₁₂O₆
Molecular Weight:	180.158
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
PSA:	121.38000
LogP:	-3.83460

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Specification

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%.

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%.

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