b-D-Glucopyranoside,3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl
- 中文别名：土大黄苷
- 中文释义：勒胖停;大黄素荧光指示剂;土大黄苷;土大黄素.食用大黄素
- 英文别名：RHAPONTIN;
RHAPONTIN,TECH.;
Rhaponticin;
4'-methoxy-3,3',5-stilbenetriol 3-glucoside;
Rhaponiticin;
trans-Rhapontin;
RHAMNOSE,L-(+)-(P)
- CAS No.：155-58-8
- 分子式：C21H24O9
- 分子量：420.41
- 精确分子量：420.14200
- PSA：149.07000
- MDL：MFCD00010117
- InChI：InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
- 分子结构式：
物化性质
- 外观与性状：
- 淡黄色
- 密度：
- 1.498 g/cm3
- 熔点：
- 236-240ºC
- 沸点：
- 749.3ºC at 760 mmHg
- 闪点：
- 406.9ºC
- 折射率：
- 1.711
- 蒸汽压：
- 1.39E-23mmHg at 25°C
- 存储条件/存储方法：
密封保存。
- 其它信息：
1. 性状：结晶。有亮蓝色荧光。
土大黄苷 安全信息
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 36/38
- 安全说明：
- 24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
- 危险标志：
- Xi
安全信息
- 外观与性状：
- 淡黄色
- 密度：
- 1.498 g/cm3
- 熔点：
- 236-240ºC
- 沸点：
- 749.3ºC at 760 mmHg
- 闪点：
- 406.9ºC
- 折射率：
- 1.711
- 蒸汽压：
- 1.39E-23mmHg at 25°C
- 存储条件/存储方法：
密封保存。
- 其它信息：
1. 性状：结晶。有亮蓝色荧光。
土大黄苷 安全信息
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 36/38
- 安全说明：
- 24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
- 危险标志：
- Xi
MSDS
| Name: | Rhapontin, 95% Material Safety Data Sheet |
| Synonym: | 4'Methoxy-3,3',5-stilbenetriol-3-glucoside |
| CAS: | 155-58-8 |
Section 1 - Chemical ProductMSDS Name: Rhapontin, 95% Material Safety Data Sheet
Synonym: 4'Methoxy-3,3',5-stilbenetriol-3-glucoside SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS | CAS# | Chemical Name | content | EINECS# |
| 155-58-8 | Rhapontin | 95% | 205-845-0 |
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 irritation of the digestive tract. 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:
None SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
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. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 155-58-8: 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: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 236-238 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C21H24O9
Molecular Weight: 420.42 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:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 155-58-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Rhapontin - 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. WGK (Water Danger/Protection) CAS# 155-58-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 155-58-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 155-58-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.
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）：0.5
2、 氢键供体数量：6
3、 氢键受体数量：9
4、 可旋转化学键数量：6
5、 互变异构体数量：8
6、 拓扑分子极性表面积（TPSA）：149
7、 重原子数量：30
8、 表面电荷：0
9、 复杂度：559
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：1
14、不确定化学键立构中心数量：0
15、共价键单元数量：1
