3,6,9-三乙基-3,6,9-三甲基-1,4,7-三过氧壬烷 | 24748-23-0

• 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 - 有机氧化合物 - 有机氧化物
• 中文名称: 3,6,9-三乙基-3,6,9-三甲基-1,4,7-三过氧壬烷
• 中文别名: 3,6,9-三乙基-3,6,9-三甲基-1,4,7-三过氧化壬烷
• 英文名称: 3,6,9-triethyl-3,6,9-trimethyl-[1,2,4,5,7,8]hexoxonane
• 英文别名: 3,6,9-Triaethyl-3,6,9-trimethyl-[1,2,4,5,7,8]hexoxonan；3,6,9-trimethyl-3,6,9-triethyl-1,2,4,5,7,8-hexaoxanonane；3,6,9-triethyl-3,6,9-trimethyl-1,4,7-triperoxonane；trimeric cyclic methyl ethyl ketone peroxide；1,4,7-Trimethyl-1,4,7-triethyl-1,4,7-cyclononatriperoxan；3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane；3,6,9-triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexaoxonane
• CAS: 24748-23-0
• 化学式: C₁₂H₂₄O₆
• 分子量: 264.319
• InChiKey: KVWLLOIEGKLBPA-UHFFFAOYSA-N

物化性质

• 熔点：
  -20 °C
• 沸点：
  246.6±30.0 °C(Predicted)
• 密度：
  0.875
• 闪点：
  58 °C
• LogP：
  4.84 at 20℃
• 物理描述：
  Liquid
• 保留指数：
  1352.9;1353.1;1361.4;1368.6;1370.3;1371.1;1374.3
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• 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

• 危险品标志：
  O,Xi,Xi-O
• 安全说明：
  S14,S26,S3/7,S36/37/39
• 危险类别码：
  R7,R65,R43,R38
• 海关编码：
  2909600000
• 储存条件：
  存储于-20°C的阴凉干燥处。

SDS

Name:	3 6 9-Triethyl-3 6 9-trimethyl-1 4 7-triperoxynonane 41% solution in Material Safety Data Sheet
Synonym:
CAS:	24748-23-0

Section 1 - Chemical Product MSDS Name:3 6 9-Triethyl-3 6 9-trimethyl-1 4 7-triperoxynonane 41% solution in Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24748-23-0	3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-t	41%	unlisted

Hazard Symbols: XI O
Risk Phrases: 38 7

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to skin. May cause fire.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
Causes 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:
Do not induce vomiting. 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:
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. Strong oxidizer. Contact with other material may cause fire. Combustible liquid.
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. Remove all sources of ignition.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid mechanical shock and friction.
Storage:
Keep away from sources of ignition. Do not store near combustible materials. Store in a tightly closed container. Store in a dry area.
Keep refrigerated. (Store below 4C/39F.) Keep away from reducing agents.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use explosion-proof ventilation equipment.
Exposure Limits CAS# 24748-23-0: CAS# 64742-47-8: 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: mild odor
pH: Not available.
Vapor Pressure: < 0.1 kPa @ 20 deg
Viscosity: 5 mPa.s 20 deg C
Boiling Point: Not available.
Freezing/Melting Point: -10 deg C
Autoignition Temperature: Not available.
Flash Point: 71 deg C ( 159.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Immiscible.
Specific Gravity/Density: 0.875
Molecular Formula: C12H24O6
Molecular Weight: 264.32

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
A dangerous self-accelerating decomposition reaction and, under certain circumstances, explosion or fire can be caused by direct contact with incompatible substances or by thermal decomposition at and above the SADT (see Section 16).
Conditions to Avoid:
Incompatible materials, ignition sources, combustible materials.
Incompatibilities with Other Materials:
Reducing agents, acids, bases, rust, heavy metals.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, butane, acetone, methane.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24748-23-0 unlisted.
CAS# 64742-47-8: OA5504000 LD50/LC50:
Not available.
Not available.
Carcinogenicity:
3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane - Not listed by ACGIH, IARC, or NTP.
Petroleum distillates - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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 O
Risk Phrases:
R 38 Irritating to skin.
R 7 May cause fire.
Safety Phrases:
S 3/7 Keep container tightly closed in a cool,
well-ventilated place.
S 14A Keep away from acids, reducing agents and
polymerisation catalysts.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 24748-23-0: No information available.
CAS# 64742-47-8: No information available.
Canada
CAS# 24748-23-0 is listed on Canada's NDSL List.
CAS# 64742-47-8 is listed on Canada's DSL List.
CAS# 24748-23-0 is not listed on Canada's Ingredient Disclosure List.
CAS# 64742-47-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24748-23-0 is listed on the TSCA inventory.
CAS# 64742-47-8 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：

  3,6,9-三乙基-3,6,9-三甲基-1,4,7-三过氧壬烷 、 4-叔丁基苯乙烯 在 iron(III) trifluoromethanesulfonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以81%的产率得到1-(but-1-en-1-yl)-4-(tert-butyl)benzene
  参考文献：
  名称：

  铁催化乙烯基芳烃的甲基化和乙基化†

  摘要：

  短烷基链Heck（类型）反应，尤其是甲基Heck反应，是烷基Heck反应的一个困难方面。为了解决该问题，使用容易获得的烷基过氧化物作为烷基源，开发了铁催化的甲基，乙基和丙基Heck反应。反应条件温和，清洁且易于处理。无需添加剂，也不会产生危险废物。在大多数情况下，获得的一种异构体的收率高达99％。该反应适用于多种类型的烯烃，并能耐受各种官能团。进行了天然产物和药物分子的几个后期功能化，以证明该反应的合成应用。

  DOI：

  10.1039/c6sc04274k
• 作为产物：
  描述：

  丁酮 在 硫酸 、 双氧水 作用下， 反应 48.0h， 生成 3,6,9-三乙基-3,6,9-三甲基-1,4,7-三过氧壬烷
  参考文献：
  名称：

  基于抗体门控染料输送系统的横向流动选择性，灵敏和快速分析：三丙酮三过氧化物的实例

  摘要：

  放开它们：装载到中孔二氧化硅纳米颗粒载体中的明亮的荧光指示剂，被大分子抗体覆盖，在分析物到达时释放到测试条的侧向流中。将该系统集成到具有荧光读数的快速，简单的流量测试中，可用于选择性和灵敏地确定三丙酮三氧化二氧（TATP）作为原型小分子分析物的存在（见图）。

  DOI：

  10.1002/chem.201300031

文献信息

• [EN] LOW TEMPERATURE RADICAL INITIATOR SYSTEM AND PROCESSES MAKING USE THEREOF<br/>[FR] SYSTÈME D'INITIATEUR RADICALAIRE BASSE TEMPÉRATURE ET PROCÉDÉS L'UTILISANT
  申请人：STUDIENGESELLSCHAFT KOHLE MBH

  公开号：WO2017108761A1

  公开（公告）日：2017-06-29

  The present invention refers to a process making use of a radical initiator system comprising peroxy compounds, in particular peroxyketals, in the presence of an acid catalyst to initiate radical processes at low temperature, such as room temperature and below.

  本发明涉及一种利用包括过氧化物化合物在内的自由基引发剂系统，在酸催化剂存在下，以低温（例如室温及以下）启动自由基过程的方法。
• [DE] VERFAHREN ZUR HERSTELLUNG VON LÖSUNGEN VON TRIMEREN KETON-PEROXIDEN<br/>[EN] METHOD FOR THE PRODUCTION OF TRIMERIC KETONE PEROXIDE SOLUTIONS<br/>[FR] PROCEDE DE PRODUCTION DE SOLUTIONS DE PEROXYDES DE CETONE TRIMERES
  申请人：DEGUSSA INITIATORS GMBH & CO K

  公开号：WO2004076405A1

  公开（公告）日：2004-09-10

  Zur Herstellung von trimerem Cyclohexanonperoxid wird Cyclohexanon mit Wasserstoffperoxid in Gegenwart von Salpetersäure. als Katalysator in einem geeigneten Lösungsmittel umgesetzt.

  使用硝酸作为催化剂，在适当的溶剂中，将环己酮和过氧化氢反应，制备三聚环己酮过氧化物。
• [EN] CYCLIC KETONE PEROXIDE COMPOSITION<br/>[FR] COMPOSITION DE PEROXYDE DE CÉTONE CYCLIQUE
  申请人：AKZO NOBEL CHEMICALS INT BV

  公开号：WO2015135865A1

  公开（公告）日：2015-09-17

  A composition comprising at least two trimeric cyclic ketone peroxides: a trimeric cyclic methyl ethyl ketone peroxide (3MEK-cp) of formula (I) and at least one peroxide satisfying formula (II) wherein R1 through R3 are independently selected from alkyl and alkoxyalkyl groups, said groups having 2 to 5 carbon atoms, the total number of carbon plus oxygen atoms of R1+R2+R3 is in the range 7-15, and the molar ratio of 3MEK-cp to the total amount of peroxides satisfying formula (II) being in the range of from 10:90 to 80:20.

  一种组合物，包括至少两种三聚环状酮过氧化物：具有式（I）的三聚环状甲基乙基酮过氧化物（3MEK-cp）和至少一种符合式（II）的过氧化物，其中R1至R3分别选自烷基和烷氧基烷基基团，所述基团具有2至5个碳原子，R1+R2+R3的碳加氧原子的总数在7-15范围内，3MEK-cp与符合式（II）的过氧化物总量的摩尔比在10:90至80:20范围内。
• Studies in Organic Peroxides. XXV. Preparation, Separation and Identification of Peroxides Derived from Methyl Ethyl Ketone and Hydrogen Peroxide
  作者：Nicholas A. Milas、Aleksandar Golubović

  DOI：10.1021/ja01530a068

  日期：1959.11

  with Silicon SF 96 fluid on firebrick using helium as the effluent gas (60 ml. per minute); only a single peak was observed in each case. Cuprous Bromide-catalyzed Reactions of l-Butyl Perbenzoate and Cyclohexene in Aliphatic Acids.-The reactions were again carried out under similar conditions. Over a period of oiie hour, t-butyl perbenzoate (0.2 mole) K:LS added to a boiling mixture of cyclohexene

  在使用氦气作为废气的耐火砖上使用硅 SF 96 流体（每分钟 60 毫升）；在每种情况下仅观察到一个峰。溴化亚铜催化的过苯甲酸丁酯和环己烯在脂肪酸中的反应。-在类似条件下再次进行反应。经过一个小时的时间，将过苯甲酸叔丁酯（0.2 摩尔）K:LS 添加到环己烯（40.5 克，0.49 摩尔）、脂肪酸（0.15 摩尔）和溴化亚铜（0.1 克）的沸腾混合物中., 0.35 毫摩尔). 继续加热 3 到 12 小时以确保酯完全交换. 在冷却的溶液中加入等体积的石油醚后, 用碳酸钠萃取混合物以除去苯甲酸和催化剂。非水层TWS用水浸至中性，然后减压浓缩。通过蒸馏残余油分离产物。结果总结在
• Verfahren zur Herstellung von Polyethylenwachsen
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1134237A1

  公开（公告）日：2001-09-19

  Verfahren zur Herstellung von Polyethylenwachsen bei Temperaturen von 200 bis 350°C und Drucken im Bereich von 500 bis 4000 bar unter Verwendung von Molmassenreglern, dadurch gekennzeichnet, dass man als Radikalstarter ein Peroxidgemisch einsetzt, das im Bereich von 5 bis 95 Gew.-% mindestens eines cyclischen Peroxids der Formel I enthält, wobei die Reste R gleich oder verschieden sind und aus Alkylgruppen oder Arylgruppen ausgewählt werden, und dass man ferner ein molares H2/Ethylen-Verhältnis von 1:2000 bis 1:40000 einsetzt.

  一种使用分子量调节器在温度 200 至 350°C、压力 500 至 4000 巴范围内生产聚乙烯蜡的工艺，其特征在于使用过氧化物混合物作为自由基引发剂，该混合物含有至少一种式 I 的环状过氧化物（按重量计）（5%至 95%）。 其中的自由基 R 相同或不同，且选自烷基或芳基，同时使用的 H2/ 乙烯摩尔比为 1:2000 至 1:40000。