(4S)-4-hexyl-2,2-dimethyl-1,3-dioxane | 139008-44-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4S)-4-hexyl-2,2-dimethyl-1,3-dioxane
• CAS: 139008-44-9；139008-49-4
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: NTQWEWCCBORJBD-NSHDSACASA-N

物化性质

• 沸点：
  234-235 °C(lit.)
• 密度：
  0.893 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

SDS

Name:	(R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dioxane Material Safety Data Sheet
Synonym:
CAS:	139008-44-9

Section 1 - Chemical Product MSDS Name: (R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dioxane Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
139008-44-9	(R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dio		unlisted

+++++
Hazard Symbols: 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. 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:
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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 tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 139008-44-9: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 - 80 deg C @ 2 mmHg
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: 0.892
Molecular Formula: C12H24O2
Molecular Weight: 200.32

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 139008-44-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dioxane - 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# 139008-44-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 139008-44-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 139008-44-9 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/16/2002 Revision #1 Date: 10/05/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (4S)-4-hexyl-2,2-dimethyl-1,3-dioxane 在 i-Pr₂Et 、 碘 、 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 25.0h， 生成 (R)-1-Triethylsilanyloxy-nonan-3-ol
  参考文献：
  名称：

  1-methylcyclopropyl (MCP) ethers as protecting groups

  摘要：

  Terminal 1,2- or 1,3-diol acetonides can be converted regioselectively into secondary 1-methylcyclopropyl (MCP) ethers or primary triethylsilyl ethers under mild conditions. MCP ethers are stable to a variety of conditions and can be removed by treatment with NBS or DDQ.

  DOI：

  10.1016/0040-4039(91)80480-t

文献信息

• 1-methylcyclopropyl (MCP) ethers as protecting groups
  作者：Scott D. Rychnovsky、Jinsoo Kim

  DOI：10.1016/0040-4039(91)80480-t

  日期：1991.12

  Terminal 1,2- or 1,3-diol acetonides can be converted regioselectively into secondary 1-methylcyclopropyl (MCP) ethers or primary triethylsilyl ethers under mild conditions. MCP ethers are stable to a variety of conditions and can be removed by treatment with NBS or DDQ.