a-D-Glucopyranose, 1-(dihydrogenphosphate), dipotassium salt, dihydrate (9CI)
- 中文别名：α-D-葡萄糖1-磷酸二钾盐二水合物
- 中文释义：Alpha-D-葡萄糖1-磷酸二钾盐二水合物;1-一磷酸葡糖二钾盐;可立氏酯二钾盐;Α-D-葡萄糖-1-磷酸二钾盐;a-D-葡萄糖-1-磷酸钾盐;ALPHA-D-葡萄糖-1-磷酸二钾盐
- 英文别名：α-D-GLUCOPYRANOSE 1-PHOSPHATE DIPOTASSIUM SALT HYDRATE;
CORI-ESTER DIPOTASSIUM SALT DIHYDRATE;
Cori-ester dipotassium salt,G-1-P-K2;
A-D-GLUCOSE 1-PHOSPHATE DIPOTASSIUM*HYDR ATE;
CORI ESTER DIPOTASSIUM SALT 2-HYDRATE;
CORI ESTER;
CORI ESTER DIPOTASSIUM SALT HYDRATE;
CORI ESTER DIPOTASSIUM SALT;
G-1-P-K2
- CAS No.：5996-14-5
- 分子式：
C6H13O9P.2H2O.2K
- 分子量：372.35
- 精确分子量：371.96300
- PSA：190.84000
- InChI：InChI=1/C6H13O9P.2K.2H2O/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-10H,1H2,(H2,11,12,13);;;2*1H2/q;2*+1;;/p-2/t2-,3-,4+,5-,6-;;;;/m1..../s1
- 分子结构式：
物化性质
- 熔点：
- 209 °C
- 沸点：
- 603ºC at 760 mmHg
- 闪点：
- 318.5ºC
- 存储条件/存储方法：
本品应充氩气密封于0℃以下干燥保存。
- 稳定性相关：
常温常压下稳定，白色结晶或粉末。有吸湿性。易溶于水，微溶于乙醇。熔点209℃（分解）。比旋光度[α]D20 +78°（C=4）。
- 其它信息：
1. 性状：未确定
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：209
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：溶于水
安全信息
- 熔点：
- 209 °C
- 沸点：
- 603ºC at 760 mmHg
- 闪点：
- 318.5ºC
- 存储条件/存储方法：
本品应充氩气密封于0℃以下干燥保存。
- 稳定性相关：
常温常压下稳定，白色结晶或粉末。有吸湿性。易溶于水，微溶于乙醇。熔点209℃（分解）。比旋光度[α]D20 +78°（C=4）。
- 其它信息：
1. 性状：未确定
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：209
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：溶于水
毒理性
- 生态数据：
通常对水是不危害的，若无政府许可，勿将材料排入周围环境.
MSDS
| Name: | Glucose-1-Phosphoric Acid Dipotassium Salt Monohydrate Material Safety Data Sheet |
| Synonym: | None |
| CAS: | 5996-14-5 |
Section 1 - Chemical Product MSDS Name:Glucose-1-Phosphoric Acid Dipotassium Salt Monohydrate Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 5996-14-5 | Glucose-1-phosphoric acid, dipotassium | 100 % | unlisted |
Hazard Symbols: None Listed.
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 gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
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: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. 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.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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.
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.
Extinguishing Media:
Substance is nonflammable; use agent most appropriate to extinguish surrounding fire.
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. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section.
Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 5996-14-5: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: C6H15O7PO3K2.H2O
Molecular Weight: 356.2694
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
None.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5996-14-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Glucose-1-phosphoric acid, dipotassium salt monohydrate - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
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:
WGK (Water Danger/Protection)
CAS# 5996-14-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5996-14-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5996-14-5 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
分子结构与计算化学数据
计算化学数据
1、 疏水参数计算参考值（XlogP）：
2、 氢键供体数量：4
3、 氢键受体数量：9
4、 可旋转化学键数量：2
5、 互变异构体数量：
6、 拓扑分子极性表面积（TPSA）：163
7、 重原子数量：18
8、 表面电荷：0
9、 复杂度：266
10、 同位素原子数量：0
11、 确定原子立构中心数量：5
12、 不确定原子立构中心数量：0
13、 确定化学键立构中心数量：0
14、 不确定化学键立构中心数量：0
15、 共价键单元数量：3
