1,2-环氧-7-辛烯 | 19600-63-6

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 中文名称: 1,2-环氧-7-辛烯
• 中文别名: 1,2-环氧基-7-辛烯
• 英文名称: 1,2-epoxy-7-octene
• 英文别名: 2-(hex-5-en-1-yl)oxirane；1,2-epoxyoct-7-ene；2-hex-5-enyloxirane
• CAS: 19600-63-6
• 化学式: C₈H₁₄O
• mdl: MFCD00005156
• 分子量: 126.199
• InChiKey: UKTHULMXFLCNAV-UHFFFAOYSA-N

物化性质

• 沸点：
  64-65°C 18mm
• 密度：
  0.85
• 闪点：
  38 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：
  在常温常压下稳定，应避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  3
• 危险品标志：
  Xi
• 安全说明：
  S16,S18,S26,S36/37/39,S37/39
• 危险类别码：
  R41
• 海关编码：
  2910900090
• 危险品运输编号：
  1993
• RTECS号：
  RR0502000
• 包装等级：
  III
• 危险类别：
  3
• 储存条件：
  将温度和存储条件置于同一行，可以更清晰地表达信息： 0-6°C，密闭保存，在阴凉干燥处。

SDS

Name:	1 2-Epoxy-7-octene 97% Material Safety Data Sheet
Synonym:
CAS:	19600-63-6

Section 1 - Chemical Product MSDS Name:1 2-Epoxy-7-octene 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19600-63-6	1,2-Epoxy-7-octene	97%	243-178-7

Hazard Symbols: XI
Risk Phrases: 10 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes 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.
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. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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.
Refrigerator/flammables.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19600-63-6: 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: Clear liquid
Color: colorless
Odor: Not available.
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: 38 deg C ( 100.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8540g/cm3
Molecular Formula:
Molecular Weight: 126.20

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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: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19600-63-6: RR0502000 LD50/LC50:
Not available.
Carcinogenicity:
1,2-Epoxy-7-octene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
No information available.
IMO
No information available.
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: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 19600-63-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19600-63-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19600-63-6 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：

  1,2-环氧-7-辛烯 在 二甲基亚砜 、 bismuth mandelate 作用下， 反应 24.0h， 以50%的产率得到6-庚烯酸
  参考文献：
  名称：

  Bi（III）-扁桃酸盐/ DMSO：一种新的氧化体系，用于催化环氧化物的CC裂解

  摘要：

  发现扁桃酸铋（III）是在无水DMSO介质中氧化环氧化物的CC键裂解和将其转化为羧酸的有效催化剂。

  DOI：

  10.1016/s0040-4039(00)77635-0
• 作为产物：
  描述：

  1,7-辛二烯 在 Schiff's base ligand 1a 氧气 、 异丁醛 作用下， 以 乙腈 为溶剂， 以65%的产率得到1,2-环氧-7-辛烯
  参考文献：
  名称：

  钴（II）催化烯烃与脂肪醛和分子氧的反应：范围和机理

  摘要：

  可以使用衍生自芳族醛和胺或α-氨基酯的席夫碱制备各种钴（II）配合物。这些络合物是脂肪族醛与各种烯烃之间反应的通用催化剂。反应的结果受烯烃的电子性质控制，因为缺电子的烯烃经历醛的氧化加成反应，然后引入双氧生成2-羟基（酰氧基）-4-氧酸酯或腈，而未活化或富电子的烯烃则提供了相应的环氧化物。这些反应是通过自由基途径进行的，并提出了一种常见的酰基钴中间体，用于形成4和环氧化物7。

  DOI：

  10.1016/s0040-4020(01)87194-5

文献信息

• Free-Radical Bromotrifluoromethylation of Olefin via Single-Electron Oxidation of NaSO₂CF₃ by NaBrO₃
  作者：Zhong-Quan Liu、Dong Liu

  DOI：10.1021/acs.joc.6b02812

  日期：2017.2.3

  A free-radical bromotrifluoromethylation of olefin by using NaSO2CF3 and NaBrO3 has been achieved. Sodium bromate acts not only as a single-electron oxidant but also as a bromine source. A radical-clock experiment and electron-spin-resonance detection support a radical process.

  通过使用NaSO 2 CF 3和NaBrO 3已经实现了烯烃的自由基溴三氟甲基化。溴酸钠不仅充当单电子氧化剂，而且还充当溴源。自由基钟实验和电子自旋共振检测支持自由基过程。
• Environmentally friendly catalysis using supported reagents: catalytic epoxidation using a chemically modified silica gel
  作者：Andrew J. Butterworth、James H. Clark、Paul H. Walton、Simon J. Barlow

  DOI：10.1039/cc9960001859

  日期：——

  A new heterogeneous catalyst based on a chemically modified mesoporous silica gel possessing immobilised cobalt ions is developed and successfully applied to the epoxidation of alkenes.

  基于化学改性的介孔硅胶和固定化钴离子的全新非均相催化剂被开发出来，并成功应用于烯烃的环氧化反应。
• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135594A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): AMX n-1 wherein M is a transition metal atom having a coordination number of n selected from Group 3, 4, 5 or 6 of the Periodic Table of Elements, or a lanthanide metal atom, or actinide metal atom; A is a substituted monocyclic or polycyclic arenyl ligand pi-bonded to M, wherein said arenyl ligand includes at least one halogen substituent directly bonded to any sp 2 carbon atom at a bondable ring position of the ligand; and the or each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand.

  一种金属烯化合物可以用公式(1)表示： AMX n-1 其中，M是具有配位数n的过渡金属原子，选自元素周期表第3、4、5或6族，或为镧系金属原子，或锕系金属原子；A是与M以π键结合的取代的单环或多元环芳基配体，其中所述芳基配体包括至少一个直接键合到配体的可键合环位上的任意sp2碳原子上的卤素取代基；而X是单价阴离子配体，或者两个X连接并与金属原子结合形成一个金属环烯环，或者两个X连接形成一个螯合配体、二烯配体或烷基亚烯配体。
• Catalyst composition for hydrogenation and method for hydrogenation using the same
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10016749B2

  公开（公告）日：2018-07-10

  A catalyst composition for hydrogenation including (A) to (D), in which a mass ratio ((C)/(A)) is 0.1 to 4.0 and a mass ratio ((D)/(A)) is 0.01 to 1.00, (A): a titanocene compound represented by formula (1), (wherein R5 and R6 are any group selected from hydrogen, a hydrocarbon group having 1 to 12 carbon atoms, an aryloxy group, an alkoxy group, a halogen group, and a carbonyl group. R1 and R2 are any group selected from the group consisting of hydrogen and a hydrocarbon group having 1 to 12 carbon atoms, and R1 and R2 are not all hydrogen atoms or all a hydrocarbon group having 1 to 12 carbon atoms), (B): a reductant formed from a compound containing an element selected from the elements Li, Na, K, Mg, Zn, Al, and Ca, (C): an unsaturated compound having a molecular weight of 400 or less, and (D): a polar compound.

  一种用于加氢的催化剂组合物，包括(A)至(D)，其中质量比((C)/(A))为0.1至4.0，质量比((D)/(A))为0.01至1.00， (A)：由公式(1)表示的钛环戊二烯基化合物， （其中R5和R6是从氢、具有1至12个碳原子的烃基、芳氧基、烷氧基、卤素基和羰基中选择的任何基团。R1和R2是从氢和具有1至12个碳原子的烃基组成的组中选择的任何基团，且R1和R2不全是氢原子或全部为具有1至12个碳原子的烃基）， (B)：由含有选自Li、Na、K、Mg、Zn、Al和Ca元素的化合物的还原剂形成， (C)：分子量400或以下的非饱和化合物，以及 (D)：极性化合物。
• Photoredox Catalysis Mediated Application of Methyl Fluorosulfonyldifluoroacetate as the CF₂CO₂R Radical Source
  作者：Wei Yu、Xiu-Hua Xu、Feng-Ling Qing

  DOI：10.1021/acs.orglett.6b02580

  日期：2016.10.7

  A new application of trifluoromethylating reagent, methyl fluorosulfonyldifluoroacetate (FO2SCF2CO2Me, Chen’s reagent), as the carbomethoxydifluoromethylating reagent under visible light photoredox conditions is reported. The visible-light-induced reaction of FO2SCF2CO2Me with unactivated alkenes, styrenes, or heteroarenes affords a variety of carbomethoxydifluoromethylated products.

  报道了三氟甲基化试剂，氟磺酰基二氟乙酸甲酯（FO 2 SCF 2 CO 2 Me，Chen氏试剂）在可见光光氧化还原条件下作为羧甲氧基二氟甲基化试剂的新应用。FO 2 SCF 2 CO 2 Me与未活化的烯烃，苯乙烯或杂芳烃的可见光诱导反应产生了多种甲氧基二氟甲基化产物。

表征谱图