alpha-D-Glucose pentaacetate structure
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Common Name | alpha-D-Glucose pentaacetate | ||
|---|---|---|---|---|
| CAS Number | 604-68-2 | Molecular Weight | 390.339 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 434.8±45.0 °C at 760 mmHg | |
| Molecular Formula | C16H22O11 | Melting Point | 109-113ºC | |
| MSDS | N/A | Flash Point | 188.1±28.8 °C | |
Summary: alpha-D(+)-Glucose pentaacetate, also known as alpha-D-葡萄糖五乙酸酯, has the chemical name alpha-D-Glucose pentaacetate, CAS number 604-68-2, with molecular formula C16H22O11 and molecular weight 390.339. It appears as a white powder with no odor, melting at 109-113ºC. Primarily used in biochemical reactions and as a pharmaceutical intermediate. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | α-D(+)-Glucose pentaacetate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 434.8±45.0 °C at 760 mmHg |
| Melting Point | 109-113ºC |
| Molecular Formula | C16H22O11 |
| Molecular Weight | 390.339 |
| Flash Point | 188.1±28.8 °C |
| Exact Mass | 390.116211 |
| PSA | 140.73000 |
| LogP | 1.68 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.482 |
| InChIKey | LPTITAGPBXDDGR-LJIZCISZSA-N |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:1,2,3,4,6-Pentaacetyl-alpha-D-glucos Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Expected to be a low ingestion hazard. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. If irritation develops, get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Do NOT use water directly on fire. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 604-68-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: White powder Odor: Odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 111 - 112 deg C Autoignition Temperature: > 500 deg C (> 932.00 deg F) Flash Point: > 150 deg C (> 302.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >200 deg C Solubility in water: < 5 G/L (25C) Specific Gravity/Density: Molecular Formula: C16H22O11 Molecular Weight: 390.33 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 604-68-2 unlisted. LD50/LC50: Not available. Carcinogenicity: alpha-D-Glucose pentaacetate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 604-68-2: No information available. Canada CAS# 604-68-2 is listed on Canada's NDSL List. CAS# 604-68-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 604-68-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 9 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29400000 |
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: [1-3H]-2-deoxy-D-glucose uptake in 3T3 L1 adipocytes
Source: ChEMBL
Target: 3T3-L1
External Id: CHEMBL866922
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 210-073-2 |
| Glucose pentaacetate |
| 1,2,3,4,6-Penta-O-acetyl-a-D-glucopyranose |
| 1,2,3,4,6-Penta-O-acetyl-α-D-glucopyranose |
| α-D-(+)-Glucose pentaacetate |
| α-D-Glucopyranose, pentaacetate |
| α-D-Glucose pentaacetate |
| [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| MFCD00064071 |
| alpha-D-Glucose pentaacetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for α-D(+)-Glucose pentaacetate? |
| A: Safety information for α-D(+)-Glucose pentaacetate: S24/25. |
| Q: What is the InChIKey of α-D(+)-Glucose pentaacetate? |
| A: InChIKey of α-D(+)-Glucose pentaacetate is LPTITAGPBXDDGR-LJIZCISZSA-N. |
| Q: What is the English name of α-D(+)-Glucose pentaacetate? |
| A: The English name of α-D(+)-Glucose pentaacetate is α-D(+)-Glucose pentaacetate. |
| Q: What is the CAS number of α-D(+)-Glucose pentaacetate? |
| A: CAS number of α-D(+)-Glucose pentaacetate is 604-68-2. |
| Q: What is the LogP of α-D(+)-Glucose pentaacetate? |
| A: LogP of α-D(+)-Glucose pentaacetate is 1.68. |
| Q: What is the melting point of α-D(+)-Glucose pentaacetate? |
| A: Melting point of α-D(+)-Glucose pentaacetate is 109-113ºC. |
| Q: What is the molecular weight of α-D(+)-Glucose pentaacetate? |
| A: Molecular weight of α-D(+)-Glucose pentaacetate is 390.339. |
| Q: What is the boiling point of α-D(+)-Glucose pentaacetate? |
| A: Boiling point of α-D(+)-Glucose pentaacetate is 434.8±45.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of α-D(+)-Glucose pentaacetate? |
| A: Polar surface area (PSA) of α-D(+)-Glucose pentaacetate is 140.73000. |
| Q: What are the downstream products of α-D(+)-Glucose pentaacetate? |
| A: Related downstream products(CAS) of α-D(+)-Glucose pentaacetate: 14581-85-2;35023-96-2;141998-21-2;14581-78-3;32742-30-6;3947-62-4;13100-46-4;4692-12-0;55286-97-0. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |