2,3-二甲基环己胺 | 42195-92-6

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,3-二甲基环己胺
• 中文别名: N-(1-芘基)马来酰亚胺
• 英文名称: 2,3-dimethylcyclohexylamine
• 英文别名: 2,3-dimethyl-cyclohexanamine；2,3-dimethyl-cyclohexylamine；2,3-dimethylcyclohexanamine；2.3-Dimethylcyclohexylamin；2,3-dimethylcyclohexan-1-amine
• CAS: 42195-92-6
• 化学式: C₈H₁₇N
• mdl: MFCD00001493
• 分子量: 127.23
• InChiKey: LKWOOKWVBNSLGN-UHFFFAOYSA-N

物化性质

• 熔点：
  -15°C (estimate)
• 沸点：
  158-160 °C(lit.)
• 密度：
  0.835 g/mL at 25 °C(lit.)
• 闪点：
  51 °C
• 物理描述：
  2,3-dimethylcyclohexyl amine appears as a water-white liquid. Less dense than water and slightly soluble in water. Hence floats on water. Very irritating to skin and eyes. Used to make other chemicals.

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 安全说明：
  S16,S25,S36/37/39,S45
• 危险类别码：
  R34,R10
• 海关编码：
  2921300090
• 包装等级：
  II
• 危险品运输编号：
  UN 2734
• 危险品标志：
  C

SDS

Name:	2 3-Dimethylcyclohexylamine mixture of isomers 99+% Material Safety Data Sheet
Synonym:	None known
CAS:	42195-92-6

Section 1 - Chemical Product MSDS Name:2 3-Dimethylcyclohexylamine mixture of isomers 99+% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
42195-92-6	2,3-Dimethylcyclohexylamine	>99	255-704-2

Hazard Symbols: C
Risk Phrases: 10 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause cyanosis of the extremities. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Ingestion of large amounts may cause CNS depression. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation.
May cause systemic effects. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire.
Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Use only in a chemical fume hood. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Flammables-area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 42195-92-6: Personal Protective Equipment Eyes: Wear chemical splash goggles and face shield.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: very slightly yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 158 - 160 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 51 deg C ( 123.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density: .8350g/cm3
Molecular Formula: (CH3)2C6H9NH2
Molecular Weight: 127.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 42195-92-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dimethylcyclohexylamine - 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
Shipping Name: DIMETHYLCYCLOHEXYLAMINE
Hazard Class: 8 (3)
UN Number: 2264
Packing Group: II
IMO
Shipping Name: N,N-DIMETHYLCYCLOHEXYLAMINE
Hazard Class: 8
UN Number: 2264
Packing Group: II
RID/ADR
Shipping Name: DIMETHYLCYCLOHEXYLAMINE
Hazard Class: 8
UN Number: 2733
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 10 Flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 42195-92-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 42195-92-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 42195-92-6 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：

  2,3-二甲基环己胺 在 sodium ethanolate 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 5-(2,3-Dimethylcyclohexyl)-8-phenacyl-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-2,6-dione
  参考文献：
  名称：

  酰基CoA：胆固醇O-酰基转移酶的新型抑制剂6,7-二氢-4H-吡唑并[1,5-a]吡咯并[3,4-d]嘧啶-5,8-二酮的合成及降胆固醇活性。

  摘要：

  描述了酶-CoA：胆固醇O-酰基转移酶的一系列新的6,7-二氢-4H-吡唑并[1,5-a]吡咯并[3,4-d]嘧啶-5,8-二酮抑制剂。发现这些衍生物中的许多是胆固醇喂养的大鼠中血清脂蛋白水平的有效调节剂。对最有效的类似物之一的进一步评估证实，它明显阻止了肠道中胆固醇的吸收。

  DOI：

  10.1021/jm00109a028

文献信息

• [EN] AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS<br/>[FR] DERIVES DE CYANURE D'AZOLE METHYLIDENE ET LEUR UTILISATION COMME MODULATEURS DE PROTEINE KINASE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003106455A1

  公开（公告）日：2003-12-24

  The present invention is related to azole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such azole derivatives. Said azole derivatives are modulators of the protein kinase signalling pathways, particularly the one involving c-Jun N-terminal kinase and/or Glycogen Kinase Synthase 3. The present invention is furthermore related to novel azole derivatives as well as to methods of their preparation. X is O, S or NR0, with R0 being H or an unsubstituted or substituted C1 -C6 alkyl; A is 2-pyridyl, 3-pyridyl, 4-pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl or triazinyl group.

  本发明涉及唑衍生物，尤其是用作药物活性化合物的唑衍生物，以及包含这种唑衍生物的药物制剂。所述唑衍生物是蛋白激酶信号通路的调节剂，尤其是涉及c-Jun N端激酶和/或糖原合酶3的那一种。本发明还涉及新颖的唑衍生物以及它们的制备方法。X是O、S或NR0，其中R0是H或未取代或取代的C1-C6烷基；A是2-吡啶基，3-吡啶基，4-吡啶基，吡啶唑基，吡唑啉基，吡嗪基或三嗪基团。
• Comestible compositions comprising high potency savory flavorants, and processes for producing them
  申请人：Senomyx, Inc.

  公开号：US08148536B2

  公开（公告）日：2012-04-03

  The present invention relates to the use of certain high potency savory (“umami”) taste modifiers, as savory flavoring agents and/or enhancers of monosodium glutamate, for the preparation of foods, beverages, and other comestible compositions, and to processes for preparing food flavorant compositions for use in the preparation of comestible food and drink.

  本发明涉及使用某些高效的鲜味（"鲜味"）味道调节剂，作为鲜味调味剂和/或谷氨酸钠的增强剂，用于制备食品、饮料和其他可食用组合物，并涉及用于制备用于制备可食用食品和饮料的食品香精组合物的过程。
• Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof
  申请人：Tachdjian Catherine

  公开号：US20050084506A1

  公开（公告）日：2005-04-21

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers,—savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现，某些非天然存在的非肽酰胺化合物和酰胺衍生物，如草酰胺、脲和丙烯酰胺，可用作风味或口味调节剂，例如风味或调味剂和风味或口味增强剂，更具体地说，是用于食品、饮料和其他可食用或口服药品或组合物的风味或口味调节剂，包括鲜味（味精的“鲜味”）或甜味调节剂，鲜味或甜味调味剂以及鲜味或甜味增强剂。
• Design and synthesis of a novel DNA-encoded chemical library using Diels-Alder cycloadditions
  作者：Fabian Buller、Luca Mannocci、Yixin Zhang、Christoph E. Dumelin、Jörg Scheuermann、Dario Neri

  DOI：10.1016/j.bmcl.2008.07.038

  日期：2008.11

  DNA-encoded chemical libraries are increasingly being employed for the identification of binding molecules to protein targets of pharmaceutical relevance. Here, we describe the synthesis and characterization of a DNA-encoded chemical library, consisting of 4000 compounds generated by Diels-Alder cycloaddition reactions. The compounds were encoded with unique DNA fragments which were generated through

  DNA编码的化学文库正越来越多地用于鉴定与药物相关的蛋白质靶标的结合分子。在这里，我们描述了由Diels-Alder环加成反应生成的4000种化合物组成的DNA编码化学文库的合成和表征。这些化合物编码有独特的DNA片段，这些片段是通过逐步组装过程生成的，并用作可扩增的条形码，用于鉴定和相对定量文库成员。
• Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides
  申请人：ELI LILLY AND COMPANY

  公开号：EP0825164A2

  公开（公告）日：1998-02-25

  This invention relates to a novel solution phase process for the preparation of amide, carbamate, and sulfonamide combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

  这项发明涉及一种用于制备酰胺、碳酸酯和磺酰胺组合库的新型溶液相过程。这些库在药物发现中具有实用价值，并用于形成新型检测套件的微孔板组件。

表征谱图