1,3:2,5:4,6-三-o-亚甲基-D-甘露糖醇 | 5434-31-1

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 中文名称: 1,3:2,5:4,6-三-o-亚甲基-D-甘露糖醇
• 中文别名: 1,3:2,5:4,6-三-O-亚甲基-D-甘露糖醇；1,3:2,5:4,6-三-O-亚甲基-D-甘露醇
• 英文名称: 1,3-2,5-4,6-tri-O-methylene-D-mannitol
• 英文别名: O¹,O³;O²,O⁵;O⁴,O⁶-trimethanediyl-D-mannitol；O¹,O³;O²,O⁵;O⁴,O⁶-Trimethandiyl-D-mannit；O¹,O³;O²,O⁵;O⁴,O⁶-Trimethandiyl-mannit；1,3;2,5;4,6-Tri-O-methylen-D-mannit；D-Mannitol, 1,3:2,5:4,6-tri-O-methylene-；(1R,2R,7R,11R)-3,5,8,10,13,15-hexaoxatricyclo[9.4.0.02,7]pentadecane
• CAS: 5434-31-1
• 化学式: C₉H₁₄O₆
• 分子量: 218.207
• InChiKey: QQQVHHWRMWBKNS-FNCVBFRFSA-N

物化性质

• 熔点：
  232-233 °C
• 沸点：
  278.88°C (rough estimate)
• 密度：
  1.2626 (rough estimate)
• 稳定性/保质期：

  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2932999099
• 储存条件：
  密封保存，应储存在阴凉干燥的库房中。

SDS

Name:	1 3:2 5:4 6-tri-o-methylene-d-mannitol 98% Material Safety Data Sheet
Synonym:
CAS:	5434-31-1

Section 1 - Chemical Product MSDS Name:1 3:2 5:4 6-tri-o-methylene-d-mannitol 98% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5434-31-1	1,3:2,5:4,6-TRI-O-METHYLENE-D-MANNITOL	98%	226-600-4

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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.
Chronic:
Not available.

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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.
Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. 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:

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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:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5434-31-1: Personal Protective Equipment Eyes: Not available.
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: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 232 - 233 deg C
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:
Molecular Weight: 218.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5434-31-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3:2,5:4,6-TRI-O-METHYLENE-D-MANNITOL - 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
No information available.

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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.
WGK (Water Danger/Protection)
CAS# 5434-31-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5434-31-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5434-31-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3:2,5:4,6-三-o-亚甲基-D-甘露糖醇 在 盐酸 作用下， 生成 1,3:4,6-Di-O-methylene-D-mannitol
  参考文献：
  名称：

  1,3:4,6-Dimethylene-D-mannitol

  摘要：

  DOI：

  10.1021/ja01135a024
• 作为产物：
  描述：

  甘露醇 在 盐酸 、 聚合甲醛 作用下， 生成 1,3:2,5:4,6-三-o-亚甲基-D-甘露糖醇
  参考文献：
  名称：

  New Methylene Derivatives of D-Mannitol and 1,4-Anhydro-D-mannitol

  摘要：

  DOI：

  10.1021/ja01135a025

文献信息

• Allen et al., Chemistry and industry, 1958, p. 630
  作者：Allen et al.

  DOI：——

  日期：——
• Ness; Hann; Hudson, Journal of the American Chemical Society, 1943, vol. 65, p. 2218
  作者：Ness、Hann、Hudson

  DOI：——

  日期：——
• Haskins; Hann; Hudson, Journal of the American Chemical Society, 1943, vol. 65, p. 73
  作者：Haskins、Hann、Hudson

  DOI：——

  日期：——
• Synthesis of 1-O-alkyl-sn-glycerols and fluorescently labeled analogs from as precursor
  作者：Burkhard Kleuser、Norbert Schmidt、Guenther Gercken

  DOI：10.1016/0009-3084(93)90036-3

  日期：1993.11

  A new approach employing 2,5-O-methylene-D-Mannitol as precursor for the synthesis of naturally occurring and fluorescently labeled alkyl glycerols is described. From 2,5-O-methylene-D-mannitol, which was prepared according to the method of Ness et al. [1], 2,2-O-methylene-bis-(3-O-trityl)-sn-glycerol, the central product, was synthesized to an enantiomerically pure molecule in four steps. 1-O-hexadecyl-sn-glycerol was prepared by condensation of hexadecyl methanesulfonate with the central product and by subsequent detritylation and cleavage of the methylene bridge. From the alkyl glycerol the different lipid classes can be synthesized by well known strategies. To form fluorescently labeled analogs of alkyl glycerols the fluorescence marker 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole (NBD-Cl) was linked with the omega-amino group of 1-O-(12-aminododecyl)-sn-glycerol. Therefore the central product was condensed with 12-N-t-BOC-aminododecyl methanesulfonate. The methylene bridge. the trityl groups and the BOC protection group were cleaved with boron trifluoride/methanol in one step. 1-O-(12-NBD-aminododecyl)-sn-glycerol is useful as a biochemical substrate to build up fluorescently labeled neutral lipids and phospholipids.
• Takahashi et al., Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1952, vol. 55, p. 809
  作者：Takahashi et al.

  DOI：——

  日期：——