CAS No.13242-55-2,1,6-ANHYDRO-BETA-D-GLUCOSE-2,3,4-TRI-O-ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13242-55-2
Name:	1,6-ANHYDRO-BETA-D-GLUCOSE-2,3,4-TRI-O-ACETATE
Article Data:	39

Formula:	C₁₂H₁₆O₈
Molecular Weight:	288.254
Synonyms:	Levoglucosan,triacetate (6CI,7CI,8CI);b-D-Glucopyranose, 1,6-anhydro-, triacetate (9CI);1,6-Anhydro-2,3,4-tri-O-acetyl-b-D-glucopyranose;1,6-Anhydro-b-D-glucopyranose triacetate;2,3,4-Tri-O-acetyl-1,6-anhydro-b-D-glucopyranose;NSC 25284;Triacetyllevoglucosan;
EINECS:	236-222-1
Density:	1.34 g/cm³
Melting Point:	111-112 °C
Boiling Point:	392 °C at 760 mmHg
Flash Point:	147.3 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	24/25-36-26
PSA:	97.36000
LogP:	-0.46340

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Specification

The β-D-Glucopyranose, 1,6-anhydro-,2,3,4-triacetate, with CAS registry number 13242-55-2, belongs to the following product categories: (1)Sugars, Carbohydrates & Glucosides; (2)Carbohydrates & Derivatives. It has the systematic name of (1R,2R,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate (non-preferred name). This chemical is a kind of white crystalline powder. And the chemical formula of this chemical is C₁₂H₁₆O₈. What's more, its EINECS is 236-222-1.

Physical properties of β-D-Glucopyranose, 1,6-anhydro-,2,3,4-triacetate: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 97.36 Å²; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 62.464 cm³; (9)Molar Volume: 214.536 cm³; (10)Polarizability: 24.763×10^-24cm³; (11)Surface Tension: 45.978 dyne/cm; (12)Density: 1.344 g/cm³; (13)Flash Point: 147.326 °C; (14)Enthalpy of Vaporization: 64.169 kJ/mol; (15)Boiling Point: 392 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The β-D-Glucopyranose, 1,6-anhydro-,2,3,4-triacetate irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2O[C@@H]1CO2)C
(2)InChI: InChI=1/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
(3)InChIKey: BAKQMOSGYGQJOJ-RMPHRYRLBH
(4)Std. InChI: InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
(5)Std. InChIKey: BAKQMOSGYGQJOJ-RMPHRYRLSA-N