雄烯二醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

雄烯二醇 基本信息

中文名称:
雄烯二醇 
中文别名:
雄烯二醇;
19-去甲基雄烯二醇;
Δ5-雄甾烯-3,17-二醇 
英文名称:
Androst-5-ene-3,17-diol,(3b,17b)-
英文别名:
androst-5-ene-3β,17β-diol;
Hermaphrodiol;
Androst-5-enediol;
androstendiol;
Androst-5-ene-3beta,17beta-diol;
5-Androstenediol;
androst-5-ene-3beta,17beta-diol;
(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;
3beta,17beta-Dihydroxyandrost-5-ene;
Neumune;
Androstenediol 
CAS No.:
521-17-5
分 子 式:
C19H30O2
分 子 量:
290.44
精确分子量:
290.22500
PSA:
40.46000
MDL:
MFCD00149236
EINECS:
208-306-8
InChI:
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
风险术语:
60-61-11-19-38
安全术语:
S24/25
分子结构式:
SDS:
查看

雄烯二醇 制备方法及用途

制备方法

甾体激素和避孕药的中间体,具有雄激素的性能。

用途简介

用途

用作甾体激素和避孕药的中间体

雄烯二醇 物化性质

外观与性状:
白色结晶粉末
密度:
1.12g/cm3
熔点:
178-182ºC
沸点:
428.4ºC at 760mmHg
闪点:
194.5ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,与氧化剂反应。

其它信息:

1.       性状:白色固体

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC178-182

5.       沸点(ºC,常压):482

6.       沸点(ºC,60mmHg):未确定

7.       折射率(n20/D):未确定

8.       闪点(ºC194

9.       比旋光度(º):-52.2

10.    自燃点或引燃温度(ºC未确定

11.    蒸气压(kPa,25 ºC):未确定

12.    饱和蒸气压(kPa,25ºC):未确定

13.    燃烧热(KJ/mol):78.9

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

雄烯二醇 安全信息

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

雄烯二醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BV8091000
CHEMICAL NAME :
Androst-5-ene-3-beta,17-beta-diol
CAS REGISTRY NUMBER :
521-17-5
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H30-O2
MOLECULAR WEIGHT :
290.49
WISWESSER LINE NOTATION :
L E5 B666 LUTJ A1 E1 FQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
4 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 18,271,1959
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
4 mg/kg
SEX/DURATION :
female 3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 18,271,1959
毒理学数据:

1、生殖毒性

大鼠经皮下TDLo4mg/kg

雄烯二醇 MSDS

Name: 5-Androstene-3Beta 17Beta-Diol Hydrate 98% Material Safety Data Sheet
Synonym: Androstenediol; Androst-5-Enediol
CAS: 521-17-5
Section 1 - Chemical Product   MSDS Name:5-Androstene-3Beta 17Beta-Diol Hydrate 98% Material Safety Data Sheet
Synonym:Androstenediol; Androst-5-Enediol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
521-17-5 5-Androstene-3Beta,17Beta-Diol Hydrate 98 208-306-8
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:
Adverse reproductive effects have been reported in animals.

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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. 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.
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:
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. Remove contaminated clothing and wash before reuse. 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. Hormones and antibiotics room.

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# 521-17-5: 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:
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: Solid
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 179.00 - 182.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C19H30O2.xH2O
Molecular Weight: 290.44

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
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# 521-17-5: BV8091000 LD50/LC50:
Not available.
Carcinogenicity:
5-Androstene-3Beta,17Beta-Diol Hydrate - 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
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# 521-17-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 521-17-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 521-17-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

雄烯二醇 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):3.5

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):40.5

7、   重原子数量:21

8、   表面电荷:0

9、   复杂度:470

10、同位素原子数量:0

11、确定原子立构中心数量:7

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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