Estradiol, diacetate | 3434-88-6

• 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: Estradiol, diacetate
• 英文别名: (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
• CAS: 3434-88-6
• 化学式: C₂₂H₂₈O₄
• 分子量: 356.5
• InChiKey: VQHQLBARMFAKSV-UHFFFAOYSA-N

物化性质

• 熔点：
  127-129 °C
• 沸点：
  463.4±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R40,R48
• 安全说明：
  S22,S24/25

SDS

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Section 1. Chemical Product and Company Identification
b-Estradiol Diacetate
Common Name/
Trade Name
Manufacturer
Commercial Name(s)
Synonym
Chemical Name
Chemical Family
b-Estradiol Diacetate

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Section 4. First Aid Measures
Eye Contact Check 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 Contact In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove
contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get
medical attention.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical
attention.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points Not available.
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2).
Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
Various Substances Non-flammable in presence of shocks.
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various Substances Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Not available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
b-Estradiol Diacetate

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Section 7. Handling and Storage
Precautions Keep locked up.. Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk,
evaporate the residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Wear
suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory equipment. If you feel
unwell, seek medical attention and show the label when possible. Avoid contact with skin and eyes.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 24°C (75.2°F).

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.
Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spill to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (crystalline powder.) Odor Not available.
Not available.
Taste
Molecular Weight 356.46 g/mole
White to yellowish.
Color
Not available.
pH (1% soln/water)
Boiling Point Not available.
Melting Point Not available.
Critical Temperature Not available.
Specific Gravity Not available.
Not applicable.
Vapor Pressure
Vapor Density Not available.
Not available.
Volatility
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Dispersion Properties Not available.
Solubility Not available.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Instability Temperature Not available.
Conditions of Instability Excess heat, light, incompatible materials
Incompatibility with various Not available.
substances
Corrosivity Not available.
b-Estradiol Diacetate
Special Remarks on Protect from light and heat.
Reactivity No information incompatilbility with other materials found at this time.
Special Remarks on Not available.
Corrosivity
Polymerization Will not occur.

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Section 11. Toxicological Information
Routes of Entry Inhalation. Ingestion.
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans TERATOGENIC EFFECTS: Classified POSSIBLE for human.
Other Toxic Effects on Hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans Slightly hazardous in case of skin contact (sensitizer).
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on May cause adverse reproductive effects (suppresive effects on fertility) and birth defects (teratogenic).
Chronic Effects on Humans May have androgenic and anabolic action.
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: May cause skin irritation. There is a low risk of possible contact dermatitis in sensitized persons.
Eyes: May cause eye irritation.
Inhalation: May cause mild respiratory tract irritation.
Ingestion: May affect cardiovascular system.

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Section 12. Ecological Information
Ecotoxicity Not available.
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
The product itself and its products of degradation are not toxic.
Toxicity of the Products
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
b-Estradiol Diacetate
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California
Proposition 65
Warnings
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) R36/38- Irritating to eyes and skin. S2- Keep out of the reach of children.
R63- Possible risk of harm to the S46- If swallowed, seek medical advice
unborn child. immediately and show this container or label.
Health Hazard
HMIS (U.S.A.) 2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
b-Estradiol Diacetate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Estradiol, diacetate 以84的产率得到2-acetylestradiol 17β-acetate
  参考文献：
  名称：

  Steroids 2002, 67, 1065-1070

  摘要：

  DOI：
• 作为产物：
  描述：

  (8R,13S,17S)-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol 以95的产率得到Estradiol, diacetate
  参考文献：
  名称：

  Steroids 2002, 67, 1065-1070

  摘要：

  DOI：

文献信息

• Pharmaceutical preparations for induction of labor and for contraceptive
  申请人：Hoechst Aktiengesellschaft

  公开号：US04904648A1

  公开（公告）日：1990-02-27

  The present invention relates to a pharmaceutical combination product for the induction of labor or for preventing the development of pregnancy, containing (A) one or more antigestagen(s) (B) one or more long-chain polyunsaturated fatty acid(s) or preparations thereof and, if necessary, (C) prostaglandins, where suitable as antigestagens are all compounds which have a strong affinity for the gestagen receptor but at the same time do not themselves have any considerable intrinsic gestagenic activity. The products are preferably administered intravaginally or (extra)amnially. In this connection, it is possible for the antigestagens and the fatty acids according to the invention to be administered either simultaneously or separately, for example consecutively.

  本发明涉及一种用于诱导分娩或预防妊娠发展的药物组合产品，包含（A）一种或多种抗孕激素（B）一种或多种长链多不饱和脂肪酸或其制剂，如有必要，（C）前列腺素，适用于抗孕激素的是所有具有强烈亲和力的化合物，但同时本身没有任何显著的内在孕激素活性。该产品最好通过阴道或（额外）羊膜给予。在这种情况下，根据本发明的抗孕激素和脂肪酸可以同时或分别给予，例如连续给予。
• Novel 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity
  申请人：SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH

  公开号：US20030229061A1

  公开（公告）日：2003-12-11

  The application discloses novel 2-alkoxyestradiol analogs which exhibit anti-proliferative properties, and methods of making and using such compounds to inhibit undesired cell proliferation and tumor growth. Additionally, methods are disclosed of treating diseases associated with undesired angiogenesis and undesired proliferation, and methods of treating infectious disease wherein the infectious agent is particularly susceptible to inhibition by agents that disrupt microtubule organization and function.

  本发明披露了新型2-烷氧基雌二醇类似物，该类似物具有抗增殖特性，并公开了制备和使用这些化合物以抑制不良细胞增殖和肿瘤生长的方法。此外，还披露了治疗与不良血管生成和不良增殖有关的疾病的方法，以及治疗感染疾病的方法，其中感染剂特别易受到破坏微管组织和功能的药物抑制。
• 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity
  申请人：Southwest Foundation for Biomedical Research

  公开号：US06593321B2

  公开（公告）日：2003-07-15

  The application discloses novel 2-alkoxyestradiol analogs which exhibit anti-proliferative properties, and methods of making and using such compounds to inhibit undesired cell proliferation and tumor growth. Additionally, methods are disclosed of treating diseases associated with undesired angiogenesis and undesired proliferation, and methods of treating infectious disease wherein the infectious agent is particularly susceptible to inhibition by agents that disrupt microtubule organization and function.

  本发明揭示了一种新型的2-烷氧基雌二醇类似物，具有抗增殖性质，并且揭示了制备和使用这种化合物以抑制不良细胞增殖和肿瘤生长的方法。此外，还揭示了治疗与不良血管生成和不良增殖相关的疾病的方法，以及治疗感染病的方法，其中感染剂特别容易被破坏微管组织和功能的剂量抑制。
• ONO, MITSUNORI;ITOH, ISAMU, TETRAHEDRON LETT., 30,(1989) N, C. 207-210
  作者：ONO, MITSUNORI、ITOH, ISAMU

  DOI：——

  日期：——
• SHAVVA, A. G.;BUROVA, E. B.;ELISEEV, I. I.;KORXOV, V. V.;NIKITINA, G. V.
  作者：SHAVVA, A. G.、BUROVA, E. B.、ELISEEV, I. I.、KORXOV, V. V.、NIKITINA, G. V.

  DOI：——

  日期：——