2,4,8,10-四氧螺环[5,5]十一烷 | 126-54-5

• 物质功能分类: 化学试剂 - 有机试剂 - 烷烃
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2,4,8,10-四氧螺环[5,5]十一烷
• 英文名称: 2,4,8,10-tetraoxaspiro[5.5]undecane
• 英文别名: 2,4,8,10-tetraoxaspiro-<5,5>undecane；2,4,8,10-tetraoxaspiro<5,5>undecane；5,5'-spirobi<1,3-dioxane>；2,4,8,10-tetraoxospiro[5,5]undecane；5,5'-spirobis(1,3-dioxane)；Pentaerythrit-diformal
• CAS: 126-54-5
• 化学式: C₇H₁₂O₄
• mdl: MFCD00006565
• 分子量: 160.17
• InChiKey: BGCSUUSPRCDKBQ-UHFFFAOYSA-N

物化性质

• 熔点：
  48-52 °C
• 沸点：
  80-83 °C (1.5 mmHg)
• 密度：
  1.0894 (rough estimate)
• 闪点：
  108 °C
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容材料、强氧化剂及水分接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2932999099

SDS

Name:	2 4 8 10-Tetraoxaspiro(5.5)Undecane 98+% Material Safety Data Sheet
Synonym:	Pentaerythritol Diforma
CAS:	126-54-5

Section 1 - Chemical Product MSDS Name:2 4 8 10-Tetraoxaspiro(5.5)Undecane 98+% Material Safety Data Sheet
Synonym:Pentaerythritol Diforma

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
126-54-5	2,4,8,10-Tetraoxaspiro[5.5]undecane	98+	204-792-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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:
No information found.

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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:
Treat symptomatically and supportively.

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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. 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. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

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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. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 126-54-5: 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:
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: Crystals
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 80.0 - 83.0 deg C @ 1.50mm Hg
Freezing/Melting Point: 52.0 - 55.0 deg C
Autoignition Temperature: Not available.
Flash Point: 108 deg C ( 226.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H12O4
Molecular Weight: 160.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, 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.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 126-54-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,8,10-Tetraoxaspiro[5.5]undecane - Not listed by ACGIH, IARC, or NTP.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 126-54-5: No information available.
Canada
CAS# 126-54-5 is listed on Canada's NDSL List.
CAS# 126-54-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 126-54-5 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,4,8,10-四氧螺环[5,5]十一烷 在 硫酸 、 乙酸酐 作用下， 生成 5,5-bis-acetoxymethyl-[1,3]dioxane
  参考文献：
  名称：

  Dermer; Hawkins, Proceedings of the Oklahoma Academy of Science, 1941, vol. 32, p. 104

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 在 水 、 硼酸 作用下， 反应 72.0h， 以0.4%的产率得到2,4,8,10-四氧螺环[5,5]十一烷
  参考文献：
  名称：

  水热条件下由甲醛合成2,4,8,10-四氧杂螺[5.5]-十一烷的新颖合成途径

  摘要：

  我们在这里报告了在高岭土和硼酸存在下，通过使用甲醛（唯一的前体）进行水热合成2,4,8,10-四氧六环[5.5]-十一烷的过程。报道的方法是合成上述产物的最简单方法。J.杂环化​​学。（2010）。

  DOI：

  10.1002/jhet.348

文献信息

• RADICAL POLYMERIZATION INITIATOR, COMPOSITION CONTAINING SAME, CURED PRODUCT OF COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT, AND COMPOUND
  申请人：ADEKA CORPORATION

  公开号：US20210107887A1

  公开（公告）日：2021-04-15

  Provided are: a radical polymerization initiator which has excellent sensitivity and solubility in water; a composition containing the same; a cured product of the composition; a method of producing the cured product; and a compound. The radical polymerization initiator contains a compound represented by Formula (A) below (wherein Z 1 represents a direct bond or the like; Z 2 represents >CR 102 2 or the like; R 1 to R 8 each represent a hydrogen atom or the like, or a group containing a salt-forming group, which is represented by Formula (B1) below (wherein L 1 represents a direct bond or the like, B represents an acidic group salt or the like, b represents 1 to 10, and the asterisk (*) represents a binding site); at least one of R 1 to R 8 is the group containing a salt-forming group; R 101 and the like each represent a hydrogen atom or the like; one or more hydrogen atoms in the alkyl group and the like used as R 1 to R 8 and the like are optionally substituted with an ethylenically unsaturated group or the like; one or more methylene groups in R 1 to R 8 and the like are optionally substituted with a double bond or the like; adjacent groups such as R 1 and R 2 are optionally bound together to form a ring and optionally form a fused ring with a benzene ring in Formula (A); and R′ represents a hydrogen atom or the like).

  提供了：具有优异灵敏度和水溶性的自由基聚合引发剂；含有该引发剂的组合物；该组合物的固化产物；生产该固化产物的方法；以及一种化合物。自由基聚合引发剂包含以下式（A）所代表的化合物（其中Z1代表直接键或类似物；Z2代表>CR1022或类似物；R1至R8各自代表氢原子或类似物，或者包含盐形成基团的群，该基团由下式（B1）代表（其中L1代表直接键或类似物，B代表酸性基团盐或类似物，b代表1至10，星号（*）代表结合位）；R1至R8中至少有一个是包含盐形成基团的群；R101等各自代表氢原子或类似物；R1至R8等中所用的烷基群等中的一个或多个氢原子可以选择性地被乙烯不饱和基团等替代；R1至R8等中的一个或多个亚甲基群可以选择性地被双键等替代；相邻的群，如R1和R2，可以选择性地结合在一起形成环，并且可以选择性地与式（A）中的苯环形成融合环；R′代表氢原子或类似物）。
• LIQUID ELECTROLYTE, AND METHOD FOR MANUFACTURING PHOSPHATE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20190081358A1

  公开（公告）日：2019-03-14

  A method for manufacturing a phosphate, which includes reacting, in a solvent, an organophosphate represented by the following formula (2) and an alkali metal hydroxide in an amount of 1.01 mole equivalents or more relative to the organophosphate to provide a composition containing a phosphate represented by the following formula (1), the alkali metal hydroxide, and the solvent; and adding hydrogen fluoride to the composition to neutralize the composition and to precipitate an alkali metal fluoride, thereby providing a composition containing the precipitated alkali metal fluoride, the phosphate represented by the formula (1), and the solvent. The formula (1) is (R 11 O)(R 12 O)PO 2 M, where R 11 , R 12 and M are as defined herein. The formula (2) is (R 21 O)(R 22 O)(R 23 O)PO, where R 21 , R 22 , and R 23 are as defined herein.

  一种制造磷酸盐的方法，包括在溶剂中反应以下式（2）所代表的有机磷酸盐和相对于有机磷酸盐的1.01摩尔当量或更多的碱金属氢氧化物，以提供含有以下式（1）所代表的磷酸盐、碱金属氢氧化物和溶剂的组合物；并向该组合物中添加氟化氢以中和该组合物并沉淀出碱金属氟化物，从而提供含有沉淀的碱金属氟化物、以下式（1）所代表的磷酸盐和溶剂的组合物。式（1）为（R11O）（R12O）PO2M，其中R11、R12和M如本文所定义。式（2）为（R21O）（R22O）（R23O）PO，其中R21、R22和R23如本文所定义。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• NOVEL FLUORINATED UNSATURATED CYCLIC CARBONATE AND PROCESS FOR PRODUCING SAME
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20180346437A1

  公开（公告）日：2018-12-06

  An unsaturated cyclic carbonate containing a fluorinated alkyl group represented by the following formula: wherein Rf is a C1-C8 fluorinated alkyl group.

  一种含有氟化烷基基团的不饱和环状碳酸酯，其化学式如下所示：其中Rf为C1-C8的氟化烷基基团。

表征谱图