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Tri-O-acetyl-D-glucal

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Name

Tri-O-acetyl-D-glucal

EINECS 220-709-0
CAS No. 2873-29-2 Density 1.24 g/cm3
PSA 88.13000 LogP 0.32540
Solubility Soluble in chloroform and ethanol. Insoluble in water. Melting Point 53-55 °C(lit.)
Formula C12H16O7 Boiling Point 343.1 °C at 760 mmHg
Molecular Weight 272.255 Flash Point 149.2 °C
Transport Information N/A Appearance white to off-white crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2873-29-2 (Tri-O-acetyl-D-glucal) Hazard Symbols N/A
Synonyms

(3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate;[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate;1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol triacetate;3,4,6-Tri-O-acetylglucal;D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate;D-Glucal triacetate;3,4,6-Tri-O-acetyl-D-glucal;3,4,6-Tris-O-acetyl-D-glucal;

Article Data 118

Tri-O-acetyl-D-glucal Specification

The Tri-O-acetyl-D-glucal, with the CAS registry number 2873-29-2, is also known as 1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol triacetate. It belongs to the product categories of Sugars, Carbohydrates & Glucosides; Chiral; Biochemistry; Glucose; Glycals; O-Substituted Sugars; Sugars. Its EINECS registry number is 220-709-0. This chemical's molecular formula is C12H16O7 and molecular weight is 272.25124. Its IUPAC name is called (3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. It is white to off-white crystalline powder. The product should be sealed and stored in cool and dry place.

Physical properties of Tri-O-acetyl-D-glucal: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 16.379; (4)ACD/KOC (pH 7.4): 16.379; (5)#H bond acceptors: 7; (6)#Freely Rotating Bonds: 7; (7)Index of Refraction: 1.484; (8)Molar Refractivity: 62.719 cm3; (9)Molar Volume: 219.297 cm3; (10)Surface Tension: 42.363 dyne/cm; (11)Density: 1.241 g/cm3; (12)Flash Point: 149.243 °C; (13)Enthalpy of Vaporization: 58.693 kJ/mol; (14)Boiling Point: 343.104 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by tetra-O-acetyl-x-D-glucopyranosyl bromide. This reaction will need reagent Cu/Zn.

Uses of Tri-O-acetyl-D-glucal: it can be used to produce D-arabino-1,5-anhydro-2-deoxy-hex-1-enitol. This reaction will need reagent K2CO3 and solvent methanol with reaction time of 3 hours.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3
(3)InChIKey: LLPWGHLVUPBSLP-UHFFFAOYSA-N

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