(5Z,7E)-9,10-seco-cholesta-5,7,10(19)-trien-3β-ol | 67-97-0

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (5Z,7E)-9,10-seco-cholesta-5,7,10(19)-trien-3β-ol
• 英文别名: Vitamin D(3) (Cholecalciferol)；Cholecalciferol；Epivitamin D3；Vitamin D(3)；vitamin-D₃；(5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-ol；(3Z)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• CAS: 67-97-0；7489-19-2；22350-41-0；57651-82-8；57651-83-9；98744-46-8；98818-17-8
• 化学式: C₂₇H₄₄O
• 分子量: 384.646
• InChiKey: QYSXJUFSXHHAJI-GGULSIJQSA-N

物化性质

• 沸点：
  496.4±24.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：25 mg/ml，DMSO：3 mg/ml，乙醇：30 mg/ml
• 稳定性/保质期：

  无色结晶，在潮湿空气中几天就会氧化失活；而纯结晶在棕色真空安瓿中于冰箱内存放一年后仅有极微量变质。通常维生素D3比维生素D2更稳定。维生素D3广泛存在于人和大多数动物组织中，鱼肝油、肝脏、鱼子、乳汁、奶油和蛋黄等食物中含有丰富的D3。人体皮肤内的7-脱氢胆固醇经日光或紫外线照射可转化为维生素D3，因此多晒太阳有助于预防维生素D缺乏。

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn,T+,T
• 安全说明：
  S28,S28A,S36/37,S45
• 危险类别码：
  R26,R48/25,R24/25
• WGK Germany：
  2
• 海关编码：
  2936240000
• 危险品运输编号：
  UN 2811 6.1/PG 2
• 危险类别：
  6.1
• RTECS号：
  VS2900000
• 包装等级：
  II
• 危险标志：
  GHS06,GHS08
• 危险性描述：
  H301 + H311,H330,H372
• 危险性防范说明：
  P260,P280,P284,P301 + P310,P310
• 储存条件：
  本品应密封存放在阴凉干燥且避光的地方。

SDS

Name:	Vitamin d3 crystalline 99+% Material Safety Data Sheet
Synonym:	Cholecalciferol; 9,10-Secocholesta-5,7,10(19)-trien-33-o
CAS:	67-97-0

Section 1 - Chemical Product MSDS Name:Vitamin d3 crystalline 99+% Material Safety Data Sheet
Synonym:Cholecalciferol; 9,10-Secocholesta-5,7,10(19)-trien-33-o

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
67-97-0	Vitamin D3	99	200-673-2

Hazard Symbols: T
Risk Phrases: 25

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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.

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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:

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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.

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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.

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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.

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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.

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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

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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.

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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.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

5,6-反式维生素 D3（5,6-反式胆钙化醇；5,6-反式骨化醇）是维生素 D3 的光产物。维生素 D3 是维生素 D 的天然形式，代谢激活后能诱导细胞分化并抑制癌细胞增殖。

体外研究

通过测定正常人角质形成细胞中 ({}^{3})H-胸苷掺入 DNA 来评估 5,6-反式维生素 D3 的影响。结果表明，在浓度为 (10^{-6}) M 时，5,6-反式维生素 D3 才能显著抑制细胞增殖。维生素 D 受体（VDR）对 5,6-反式维生素 D3 的解离常数为 560 nM。

文献信息

• STEROLS MODIFIED BY POLYETHYLENE GLYCOL, THE PREPARATION AND THE USE THEREOF
  申请人：Zhang Wenfang

  公开号：US20100036140A1

  公开（公告）日：2010-02-11

  The invention provides sterols modified by polyethylene glycol represented by the following formula, the preparation and the use thereof, wherein each symbol is defined as in the description.

  这项发明提供了由以下公式表示的聚乙二醇修饰的甾醇，以及其制备和使用，其中每个符号的定义如描述中所述。
• METHODS OF NEUROPROTECTION USING NEUROPROTECTIVE STEROIDS AND A VITAMIN D
  申请人：Stein Donald G.

  公开号：US20110306579A1

  公开（公告）日：2011-12-15

  Described herein are compositions and methods for treating or preventing nervous system injury. In particular, the methods and compositions relate to the use of at least one neuroprotective steroid, such as progesterone, and vitamin D.

  本文描述了用于治疗或预防神经系统损伤的组合物和方法。具体而言，这些方法和组合物涉及使用至少一种神经保护类固醇，如孕激素，和维生素D。
• Poly-Gamma-Glutamic Acid-Vitamin Complex and Use Thereof
  申请人：Sung Moon-Hee

  公开号：US20080132440A1

  公开（公告）日：2008-06-05

  The present invention relates to PGA-vitamin complex containing poly-γ-glutamic acid(PGA), vitamin preparations containing said PGA-vitamin complex or cosmetic compositions. The inventive PGA-vitamin complex having excellent hygroscopicity, moisturizing property and skin compatibility, which is a complex of poly-γ-glutamic acid and vitamin, has the effect of sustained-release as well as improves stability of vitamin having the functions, such as promotion of metabolism, anti-oxidation effect, protection of cell wall, increasing immunity, prevention of dry skin and keratinization, anti-wrinkles and moisturizing skin, thereby being useful as cosmetic compositions and sustained-release vitamin preparations for various applications.
• 25-Hydroxy vitamin D3 compositions
  申请人：Tritsch Jean-Claude

  公开号：US20100112162A1

  公开（公告）日：2010-05-06

  An oil composition containing 25-hydroxy Vitamin D 3 and an oil is provided. In addition an emulsion, a microencapsulated oil composition, and a feed premix composition each containing 25-hydroxy Vitamin D 3 are provided. Methods of making an oil composition, a microencapsulated oil composition, and a feed premix containing 25-hydroxy Vitamin D 3 are also provided.
• VITAMIN FORMULATION
  申请人：BUCHTA Richard

  公开号：US20110014135A1

  公开（公告）日：2011-01-20

  A pharmaceutical aerosol foam composition, comprising: an effective amount of a pharmaceutically active ingredient, wherein said pharmaceutically active ingredient is a vitamin or analogue thereof; an occlusive agent; an aqueous solvent; an organic cosolvent; wherein the pharmaceutically active ingredient is insoluble in both water and the occlusive agent; and the occlusive agent being present in an amount sufficient to form an occlusive layer on the skin, in use. In a second embodiment, an oil-in water emulsion having a vitamin, an occlusive agent; an aqueous solvent; and an organic cosolvent, wherein the occlusive agent is present in an amount sufficient to form an occlusive layer on the skin.