22428-87-1

• 常用中文名：4-羟基环己酮乙二醇缩醛
• 常用英文名：1,4-Dioxaspiro[4.5]decan-8-ol
• CAS号：22428-87-1
• 分子式：C₈H₁₄O₃
• 分子量：158.195
• 发布时间：2018-09-19 08:04:52
• 更新时间：2024-01-02 21:31:36

• 
  

名称

• 中文名: 4-羟基环己酮乙二醇缩醛
• 英文名: 1,4-dioxaspiro[4.5]decan-8-ol
• 中文别名: 1,4-二氧螺环[4,5]癸烷-8-醇; 1,4-二噁螺[4.5]-8-癸醇
• 英文别名: 1,4-dioxaspiro[4.5]-decan-8-ol; 4-Hydroxycyclohexanone monoethylene ketal; MFCD00067003; 1,4-Dioxaspiro[4.5]decan-8-ol; 4-Hydroxycyclohexanone ethylene acetal; 1-hydroxy-4-cyclohexanone ethylene ketal; 4-hydroxycyclohexanone ethylene ketal; 4,4-ethylenedioxycyclohexan-1-ol; 8-hydroxy-1,4-dioxaspiro[4.5]decane; 4,4-Ethylenedioxycyclohexanol

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 269.0±40.0 °C at 760 mmHg
• 分子式: C₈H₁₄O₃
• 分子量: 158.195
• 闪点: 116.5±27.3 °C
• 精确质量: 158.094299
• PSA: 38.69000
• LogP: -0.01
• 外观性状: 透明无色粘性液体
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.506
• 储存条件:

  约4℃

• 稳定性:

  避免接触强氧化剂

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：40.00

  2、 摩尔体积(cm³/mol)：134.7

  3、 等张比容(90.2K)：343.2

  4、 表面张力(dyne/cm)：42.1

  5、 极化率 (10-24cm ³) ： 15.85
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.3

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积38.7

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:130

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  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：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：未确定

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率： 1.485-1.487

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  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: 1 4-Dioxaspiro[4.5]decan-8-ol 98+% Material Safety Data Sheet Synonym: None known CAS: 22428-87-1 Section 1 - Chemical Product MSDS Name:1 4-Dioxaspiro[4.5]decan-8-ol 98+% Material Safety Data Sheet Synonym:None known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 22428-87-1 1,4-Dioxaspiro[4.5]decan-8-ol 98+ unlisted 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. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. 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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: 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: Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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. 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# 22428-87-1: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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: Viscous liquid Color: clear colorless Odor: alcohol-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H14O3 Molecular Weight: 158.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22428-87-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,4-Dioxaspiro[4.5]decan-8-ol - Not listed by ACGIH, IARC, or NTP. 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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. WGK (Water Danger/Protection) CAS# 22428-87-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22428-87-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22428-87-1 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: 生态学数据:

安全

• 危害码 (欧洲): Xi: Irritant;
• 安全声明 (欧洲): S24/25
• 海关编码: 2932999099

合成路线

4746-97-8 ~99% 22428-87-1

文献：CRYPTOPHARMA PTY LTD Patent: WO2008/124878 A1, 2008 ; Location in patent: Page/Page column 82-83 ;

13482-22-9 ~% 22428-87-1

文献：US4366172 S1, ;

78881-14-8 16940-66-2 4746-97-8 ~% 22428-87-1

文献：US5808146 A1, ;

4746-96-7 7732-18-5 ~% 22428-87-1

文献：US5691321 A1, ;

69125-55-9 107-21-1 ~88% 22428-87-1

文献：Hwu; Leopold Journal of the Chemical Society - Series Chemical Communications, 1984 , vol. NO. 11, p. 721 - 723

13482-22-9 107-21-1 ~% 22428-87-1

文献：Helvetica Chimica Acta, , vol. 40, p. 1621,1625

637-88-7 ~% 22428-87-1

文献：Journal of the Chemical Society. Perkin Transactions 2, , # 6 p. 1221 - 1234

823-19-8 107-21-1 ~% 22428-87-1

文献：Chemische Berichte, , vol. 90, p. 1973,1944

上下游产品

上游产品  10
4746-97-8 13482-22-9 78881-14-8 16940-66-2
4746-96-7 7732-18-5 69125-55-9 107-21-1
637-88-7 823-19-8
下游产品  10
106349-63-7 55145-45-4 4746-97-8 181634-04-8
22428-86-0 23510-92-1 23510-95-4 97096-16-7
637-88-7 130745-59-4

制备

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%