19-Norpregn-5(10)-en-20-yn-3-one,17-hydroxy-7-methyl-, (7a,17a)-

物化性质

外观与性状：

白色至灰白色结晶粉末

密度：

1.13g/cm3

熔点：

169 °C

沸点：

447.4ºC at 760mmHg

闪点：

190.6ºC

折射率：

105 ° (C=0.54, CH2Cl2/Et2O)

存储条件/存储方法：

避光，阴凉干燥处，密封保存

稳定性相关：

常温常压下稳定

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）：165-169

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：105

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：未确定

安全信息

外观与性状：

白色至灰白色结晶粉末

密度：

1.13g/cm3

熔点：

169 °C

沸点：

447.4ºC at 760mmHg

闪点：

190.6ºC

折射率：

105 ° (C=0.54, CH2Cl2/Et2O)

存储条件/存储方法：

避光，阴凉干燥处，密封保存

稳定性相关：

常温常压下稳定

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）：165-169

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：105

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：未确定

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

Section I.Chemical Product and Company Identification
Chemical Name Tibolone
Portland OR
Synonym17α-Hydroxy-7α-methyl-19-norpregn-5(10)-en-20-yn-
3-one
Chemical FormulaC21H28O2
CAS Number5630-53-5
Section II.Composition and Information on Ingredients
Toxicology Data
Chemical NameCAS Number Percent (%)TLV/PEL
Tibolone5630-53-5 Min. 98.0 (GC) Not available.Not available.
Section III. Hazards Identification
Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.
Section V.Fire and Explosion Data
Not available.
May be combustible at high temperature.Auto-Ignition
Flammability
Flash PointsFlammable LimitsNot available.
Not available.
These products are toxic carbon oxides (CO, CO2).
Combustion Products
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Tibolone
Section VI.Accidental Release Measures
Spill CleanupUse a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.
Section VII. Handling and Storage
Handling and StorageKeep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
Engineering Controls
exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
below the exposure limit.
Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure LimitsNot available.
Section IX. Physical and Chemical Properties
Solid. (Crystal, powder. White - almostSolubility
Physical state @ 20°CNot available.
white.)
Not available.
Specific Gravity
Molecular Weight312.45Partition CoefficientNot available.
Boiling Point
Not available.Vapor PressureNot applicable.
Melting Point169°C (336.2°F)Vapor DensityNot available.
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
Not available.Not available.
ViscosityTaste
Section X.Stability and Reactivity Data
This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of InstabilityAvoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.
Section XI. Toxicological Information
RTECS NumberRC8964020
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Not available.
Toxicity Data
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Toxic Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
compound.
Section XII.Ecological Information
EcotoxicityNot available.
Environmental FateNot available.
Continued on Next Page
Tibolone
Section XIII. Disposal Considerations
Waste DisposalRecycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.
Section XIV. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
PIN NumberNot applicable.
Proper Shipping NameNot applicable.
Packing Group (PG)Not applicable.
DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified inpidual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS ClassificationNot controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) 227-069-1
EEC Risk Statements
Not available.
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：89.95

2、 摩尔体积（m³/mol）：274.1

3、 等张比容（90.2K）：719.4

4、 表面张力（dyne/cm）：47.4

5、 极化率（10^-24cm³）：35.65

计算化学数据

1、 疏水参数计算参考值（XlogP）：2.4

2、 氢键供体数量：1

3、 氢键受体数量：2

4、 可旋转化学键数量：1

5、 互变异构体数量：8

6、 拓扑分子极性表面积（TPSA）：37.3

7、 重原子数量：23

8、 表面电荷：0

9、 复杂度：636

10、 同位素原子数量：0

11、 确定原子立构中心数量：6

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