中文名 | 维生素 D3 |
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英文名 | calciol |
中文别名 |
胆钙化醇
9,10-开环胆甾-5,7,10(19)-三烯-3beta-醇 活化7-去氢胆固醇 维生素D3 |
英文别名 |
Oxarol
Vitamin D3 Ebivit Cholecalciferolum (3S,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-ol (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yliden}ethyliden]-4-methylidencyclohexanol Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)- Micro-Dee (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol Deparal FeraCol MFCD00078131 9,10-secocholesta-5,7,10-trien-3-ol, (3S,5Z,7E)- Prezios cholecalciferol (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol UNII-1C6V77QF41 Vi-De3 MC 1275 Granuvit D3 Devaron (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-(1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)- rampage vitamin D3 powder D3-Vicotrat NEO Dohyfral D3 (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexanol Vigantol EINECS 200-673-2 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5Z,7E)- (1S,3Z)-4-Methylene-3-[(2E)-2-{(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-4H-inden-4-ylidene}ethylidene]cyclohexanol colecalciferol Videkhol (3β,Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol [3H]-Vitamin D3 9,10-Secocholesta-5,7,10(19)-trien-3b-ol calciol Provitina VITAMIN D |
描述 | Cholecalciferol(Vitamin D3)是维生素D的天然存在形式,代谢激活后能诱导细胞分化和癌细胞增殖。 |
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相关类别 | |
靶点 |
Human Endogenous Metabolite |
参考文献 |
密度 | 1.0±0.1 g/cm3 |
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沸点 | 496.4±24.0 °C at 760 mmHg |
熔点 | 83-86 °C(lit.) |
分子式 | C27H44O |
分子量 | 384.638 |
闪点 | 214.2±15.1 °C |
精确质量 | 384.339203 |
PSA | 20.23000 |
LogP | 9.72 |
外观性状 | 结晶 |
蒸汽压 | 0.0±2.9 mmHg at 25°C |
折射率 | 1.523 |
储存条件 | 3本品应密封于阴凉干燥处避光保存。 |
稳定性 | 无色结晶。在潮湿空气中几天就氧化失活,纯结晶在棕色真空安瓿中冰箱相存放一年后仅有极微量变质。通常维生素D3比维生素D2稳定。D3存在于人和大多数动物组织中,在鱼肝油、肝、鱼子、乳汁、奶油和蛋黄等食物中含D3量丰富。人体皮肤内含有维生素D3的前体7-脱氢胆固醇,经日光或紫外线照射,可转变为D3,故多晒太阳可防止维生素D缺乏。 |
分子结构 | 1、 摩尔折射率:80.73 2、 摩尔体积(cm3/mol):186.5 3、 等张比容(90.2K):594.5 4、 表面张力(dyne/cm):103.2 5、 极化率(10-24cm3):32 |
计算化学 | 1、 疏水参数计算参考值(XlogP):7.5 2、 氢键供体数量:1 3、 氢键受体数量:1 4、 可旋转化学键数量:6 5、 拓扑分子极性表面积(TPSA):20.2 6、 重原子数量:28 7、 表面电荷:0 8、 复杂度:610 9、 同位素原子数量:0 10、 确定原子立构中心数量:5 11、 不确定原子立构中心数量:0 12、 确定化学键立构中心数量:0 13、 不确定化学键立构中心数量:2 14、 共价键单元数量:1 |
更多 | 1. 性状:白色柱状结晶或结晶性粉末,无臭无味,耐热性好,但对光不稳定,在空气中易氧化 2. 密度(g/mL,25/4℃):不确定 3. 相对蒸汽密度(g/mL,空气=1):不确定 4. 熔点(ºC):84-85 5. 沸点(ºC,常压):不确定 6. 沸点(ºC, 5.2kPa):不确定 7. 折射率:不确定 8. 闪点(ºC):不确定 9. 比旋光度(º):105 º (c=0.8, EtOH 25 ºC) 10. 自燃点或引燃温度(ºC):不确定 11. 蒸气压(kPa,25ºC):不确定 12. 饱和蒸气压(kPa,60ºC):不确定 13. 燃烧热(KJ/mol):不确定 14. 临界温度(ºC):不确定 15. 临界压力(KPa):不确定 16. 油水(辛醇/水)分配系数的对数值:不确定 17. 爆炸上限(%,V/V):不确定 18. 爆炸下限(%,V/V):不确定 19. 溶解性:溶于醇、醚、丙酮、氯仿及植物油,不溶于水(<0.1 g/L,20 ºC) |
Synonym:Cholecalciferol; 9,10-Secocholesta-5,7,10(19)-trien-33-o Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic if swallowed.Light sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May be fatal if swallowed. May cause irritation of the digestive tract. May cause kidney damage. May cause cardiac disturbances. Ingestion may lead to mental retardation. Inhalation: May cause respiratory tract irritation. Chronic: Chronic ingestion may cause effects similar to those of acute ingestion. 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. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Do not ingest or inhale. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light and air. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 67-97-0: 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: white Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 84-85C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C27H44O Molecular Weight: 384.64 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, light, dust generation, exposure to air. Incompatibilities with Other Materials: Strong oxidizing agents - acid chlorides - acid anhydrides. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 67-97-0: VS2900000 LD50/LC50: CAS# 67-97-0: Oral, mouse: LD50 = 42500 ug/kg; Oral, rat: LD50 = 42 mg/kg. Carcinogenicity: Vitamin D3 - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 25 Toxic if swallowed. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 67-97-0: 1 Canada CAS# 67-97-0 is listed on Canada's DSL List. CAS# 67-97-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 67-97-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 急性毒性:婴儿口经LDLo:39 mg/kg/34W-I;大鼠口经LD50:42 mg/kg; 小鼠口经LD50:42500 ug/kg;小鼠腹腔LD50:136 mg/kg;狗口经LD50:80 mg/kg; 繁殖:大鼠皮下注射TDLo:90 mg/kgSEX/DURATION : female 12-20 day(s) after conception; CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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符号 |
GHS06, GHS08 |
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信号词 | Danger |
危害声明 | H301 + H311-H330-H372 |
警示性声明 | P260-P280-P284-P301 + P310-P310 |
个人防护装备 | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
危害码 (欧洲) | T+:Verytoxic; |
风险声明 (欧洲) | R24/25;R26;R48/25 |
安全声明 (欧洲) | S28-S36/37-S45-S28A |
危险品运输编码 | UN 2811 6.1/PG 2 |
WGK德国 | 2 |
RTECS号 | VS2900000 |
包装等级 | II |
危险类别 | 6.1 |
海关编码 | 2936240000 |
上游产品 2 | |
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下游产品 6 | |
海关编码 | 2936240000 |
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