521-17-5

• 常用中文名：5-雄烯二醇
• 常用英文名：Androstenediol
• CAS号：521-17-5
• 分子式：C₁₉H₃₀O₂
• 分子量：290.440
• 相关类别： 化学试剂 有机试剂 脂肪醇
• 发布时间：2018-04-15 08:00:00
• 更新时间：2024-01-08 20:40:51

• 用作甾体激素和避孕药的中间体

名称

• 中文名: 雄烯二醇
• 英文名: androst-5-ene-3β,17β-diol
• 中文别名: 19-去甲基雄烯二醇; Δ5-雄甾烯-3,17-二醇
• 英文别名: δ-5-Androstenediol; δ5-Androstene-3β,17β-diol; androstendiol; MFCD00003625; EINECS 208-306-8; 3β,17β-Dihydroxyandrost-5-ene; Androstenediol; Ginandrin; Androstenediol (JAN); Androst-5-ene-3,17-diol, (3β,17β)-; Androst-5-enediol; androst-5-ene-3β,17β-diol; (3β,17β)-Androst-5-ene-3,17-diol; δ5-Androstenediol; (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; Stenandiol; 3beta,17beta-Dihydroxyandrost-5-ene; 5-Androstenediol; Bisexovis; (3b,17b)-Androst-5-ene-3,17-diol; 3β,17β-Dihydroxy-5-androstene; Androst-5-ene-3,17-diol, (3β,17β)- (9CI); Androst-5-ene-3,17-diol, (3-β,17-β)- (9CI); Androst-5-ene-3b,17b-diol; Hermaphrodiol; D5-Androstene-3b,17b-diol; Androst-5-ene-3beta,17beta-diol; Neumune

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 428.4±38.0 °C at 760 mmHg
• 熔点: 178-182ºC
• 分子式: C₁₉H₃₀O₂
• 分子量: 290.440
• 闪点: 194.5±21.4 °C
• 精确质量: 290.224579
• PSA: 40.46000
• LogP: 3.96
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±2.3 mmHg at 25°C
• 折射率: 1.569
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，与氧化剂反应。

• 计算化学:

  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

• 更多:

  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（ºC）：178-182

  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（ºC）：194

  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

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

毒性和生态

毒理学数据: 1、生殖毒性 大鼠经皮下TDLo：4mg/kg。 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

安全

• 危害码 (欧洲): F,T
• 风险声明 (欧洲): 60-61-11-19-38
• 安全声明 (欧洲): S24/25

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