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| CAS No.: | 604-69-3 |
|---|---|
| Name: | beta-D-Glucose pentaacetate |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H22O11 |
| Molecular Weight: | 390.344 |
| Synonyms: | Pentaacetyl-b-D-glucopyranose;Pentaacetyl-b-D-glucose;Per-O-acetyl-b-D-glucopyranose;b-D-Glucopyranosyl pentaacetate;b-D-Glucose pentaacetate;Glucopyranose,pentaacetate, b-D- (8CI);b-D-Glucopyranose, pentaacetate (9CI);1,2,3,4,6-Penta-O-acetyl-b-D-glucopyranose;2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl acetate;NSC 214078;Penta-O-acetyl-b-D-glucopyranose;Penta-O-acetyl-b-D-glucose; |
| EINECS: | 210-074-8 |
| Density: | 1.3 g/cm3 |
| Melting Point: | 130-132 °C |
| Boiling Point: | 434.8 °C at 760 mmHg |
| Flash Point: | 188.1 °C |
| Solubility: | chloroform: 0.1 g/mL, clear, colorless |
| Appearance: | white to beige powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 21-36/38-46-62-63 |
| Safety: | 24/25-53-36/37-26-25 |
| PSA: | 140.73000 |
| LogP: | -0.36740 |
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Chemistry
IUPAC Name: [(2S,3R,4S,5R,6R)-2,3,5-Triacetyloxy-6-(acetyloxymethyl)oxan-4-yl] acetate
Molecular Formula: C16H22O11
Molecular Weight: 390.339280 g/mol
EINECS: 210-074-8
Melting Point:130-132 °C
Index of Refraction: 1.482
Molar Refractivity: 85 cm3
Molar Volume: 298 cm3
Density: 1.3 g/cm3
Storage temp.: 2-8 °C
Flash Point: 188.1 °C
Surface Tension: 46.7 dyne/cm
Enthalpy of Vaporization: 69.09 kJ/mol
Boiling Point: 434.8 °C at 760 mmHg
Vapour Pressure: 9.23E-08 mmHg at 25 °C
Appearance of β-D-Glucose Pentaacetate (CAS NO.604-69-3) White to off-white powder
Solubility of β-D-Glucose Pentaacetate (CAS NO.604-69-3) chloroform: 0.1 g/mL, clear, colorless
Categories of β-D-Glucose Pentaacetate(604-69-3): Sugars, Carbohydrates & Glucosides; Biochemistry;Glucose; O-Substituted Sugars; Sugars; Carbohydrates & Derivatives
Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey: LPTITAGPBXDDGR-IBEHDNSVSA-N
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 21-36/38-46-62-63
R21:Harmful in contact with skin.
R36/38:Irritating to eyes and skin.
R46:May cause heritable genetic damage.
R62:Risk of impaired fertility.
R63:Possible risk of harm to the unborn child.
Safety Statements: 24/25-53-36/37-26-25
S24/25:Avoid contact with skin and eyes.
S53:Avoid exposure - obtain special instructions before use.
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S25:Avoid contact with eyes.
WGK Germany: 3
HS Code: 29400090
Specification
β-D-Glucose Pentaacetate , its cas register number is 604-69-3. It also can be called beta-D-Glucose pentaacetate ; 1,2,3,4,6-Penta-O-acetyl-beta-D-glucopyranose ; and Acetyl 2,3,4,6-tetra-o-acetyl-beta-D-glucopyranoside .
β-D-Glucose Pentaacetate (CAS NO.604-69-3) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
β-D-Glucose Pentaacetate (CAS NO.604-69-3) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should be stored in a tightly closed container. Or stored in a cool, dry, well-ventilated area away from incompatible substances.