佛波醇12-十四酸酯13-乙酸酯

佛波醇12-十四酸酯13-乙酸酯 基本信息
CAS号 16561-29-8 分子式 C36H56O8
分子量 616.82500 精确质量 　616.39800
PSA 　130.36000 LogP 　5.75290
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等价的CAS号：

16561-29-8,63597-44-4,123409-55-2
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
16561-29-8
3D弹球模型：
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分子式：
C36H56O8
分子量：
616.82500
中文名称：
佛波醇12-十四酸酯13-乙酸酯
英文名称：
phorbol 13-acetate 12-myristate
中文别名：
佛波醇12-十四酸酯13-乙酸酯;
12-豆蔻酸-13-乙酸佛波醇
英文别名：
phorbol 13-acetate 12-myristate;
Phorbol 12-myristate 13-acetate;
PHORBOL 12-MYRISTATE 13-ACETATE
精确分子量/精确质量：
616.39800
极性分子表面积/PSA：
130.36000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: PHEDXBVPIONUQT-YLMKASOMSA-N

物化性质展开↓

外观与性状：
白色至灰白色固体
密度：
1.17 g/cm3
沸点：
698.1ºC at 760 mmHg
闪点：
208.1ºC
折射率：
1.553
蒸汽压：
1.55E-22mmHg at 25°C
存储条件/存储方法：
库房通风低温干燥,与食品分开储运
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）：未确定

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：DMSO: DMSO solutions can be stored dark at −20?#x00b0;C for at least six months.soluble

安全信息展开↓

包装等级：
II
风险类别：
6.1(a)
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R38
安全说明：
S36/37
RTECS号：
QH4377000
安全标志：
:
危险标志：
Xi: Irritant;

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    佛波醇12-十四酸酯13-乙酸酯

MSDS 展开↓

Name: Phorbol 12-myristate 13-acetate 99% Material Safety Data Sheet
Synonym: PMA; TPA; 12-O-Tetradecanoylphorbol 13-acetat
CAS: 16561-29-8
Section 1 - Chemical Product   MSDS Name:Phorbol 12-myristate 13-acetate 99% Material Safety Data Sheet
Synonym:PMA; TPA; 12-O-Tetradecanoylphorbol 13-acetat
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16561-29-8 Phorbol 12-myristate 13-acetate 99% unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Cancer suspect agent.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
Toxic in contact with skin.
Ingestion:
Poison by ingestion.
Inhalation:
Toxic if inhaled.
Chronic:
Not available.
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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with 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.
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:
Vacuum or sweep up material and place into a suitable disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Deep freeze (below -20C).
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16561-29-8: Personal Protective Equipment Eyes: Not available.
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: colorless to white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Not available.
Specific Gravity/Density:
Molecular Formula: C36H56O8
Molecular Weight: 616.3872
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16561-29-8: QH4377000 LD50/LC50:
Not available.
Carcinogenicity:
Phorbol 12-myristate 13-acetate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
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# 16561-29-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16561-29-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16561-29-8 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展开↓

分子结构数据

1、   摩尔折射率：168.29

2、   摩尔体积（m3/mol）：525.6

3、   等张比容（90.2K）：1404.3

4、   表面张力（dyne/cm）：50.9

5、   极化率（10-24cm3）：66.71

计算化学数据

1.疏水参数计算参考值（XlogP）:6.5

2.氢键供体数量:3

3.氢键受体数量:8

4.可旋转化学键数量:17

5.互变异构体数量:3

6.拓扑分子极性表面积130

7.重原子数量:44

8.表面电荷:0

9.复杂度:1150

10.同位素原子数量:0

11.确定原子立构中心数量:8

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:1

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