TRANS-4-ETHYLCYCLOHEXANOL | 19781-62-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: TRANS-4-ETHYLCYCLOHEXANOL
• 英文别名: trans-4-ethyl-cyclohexanol；trans-1-ethyl-cyclohexanol-(4)；trans-1-Aethyl-cyclohexanol-(4)；trans-1-Aethyl-cyclohexanol-(4)；trans-4-Aethyl-cyclohexanol-(1)；trans-4-Aethyl-cyclohexanol
• CAS: 19781-62-5
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: RVTKUJWGFBADIN-ZKCHVHJHSA-N

物化性质

• 沸点：
  84 °C / 10mmHg
• 密度：
  0.91
• 闪点：
  78 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

安全信息

• 海关编码：
  2906199090
• 储存条件：
  室温且干燥

SDS

trans-4-Ethylcyclohexanol Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: trans-4-Ethylcyclohexanol

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 4
Flammable liquids
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
None
Pictograms or hazard symbols
Signal word Warning
Combustible liquid
Hazard statements
Precautionary statements:
Keep away from flames and hot surfaces.
[Prevention]
Wear protective gloves and eye/face protection.
Store in a well-ventilated place. Keep cool.
[Storage]
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: trans-4-Ethylcyclohexanol
>96.0%(GC)
Percent:
CAS Number: 19781-62-5
Chemical Formula: C8H16O

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.
trans-4-Ethylcyclohexanol

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take
measures to prevent the build up of electrostatic charge. Use explosion-proof
equipment. Wash hands and face thoroughly after handling.
Use a closed system, ventilation.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Store away from incompatible materials such as oxidizing agents.
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Clear
Form:
Colour: Colorless - Very pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 84°C/1.3kPa
Flash point: No data available
Flammability or explosive
limits:
trans-4-Ethylcyclohexanol

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Lower: No data available
Upper: No data available
Relative density: 0.91
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Conditions to avoid: Open flame
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available
GV9050000
RTECS Number:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
trans-4-Ethylcyclohexanol

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  TRANS-4-ETHYLCYCLOHEXANOL 在 正丁基锂 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 7-((cis-4-ethylcyclohexyl)oxy)-2-naphthaldehyde
  参考文献：
  名称：

  [EN] ATX MODULATING AGENTS
  [FR] AGENTS DE MODULATION D'ATX

  摘要：

  公开号：

  WO2014018881A8
• 作为产物：
  描述：

  4-乙基环己酮 在 Botrytis cinerea UCA 992 、 Czapeck-Dox medium 作用下， 以 乙醇 为溶剂， 反应 120.0h， 以21.4%的产率得到TRANS-4-ETHYLCYCLOHEXANOL
  参考文献：
  名称：

  Asymmetric microbial reduction of ketones: absolute configuration of trans-4-ethyl-1-(1S-hydroxyethyl)cyclohexanol

  摘要：

  A set of five fungal species, Botrytis cinerea, Trichoderma viride and Eutypa lata, and the endophytic fungi Colletotrichum crassipes and Xylaria sp., was used in screening for microbial biocatalysts to detect monooxygenase and alcohol dehydrogenase activities (for the stereoselective reduction of carbonyl compounds). 4-Ethylcyclohexanone and acetophenone were biotransformed by the fungal set. The main reaction pathways involved reduction and hydroxylations at several positions including tertiary carbons. B. cinerea was very effective in the bioreduction of both substrates leading to the chiral alcohol (S)-1-phenylethanol in up to 90% enantiomeric excess, and the cis-trans ratio for 4-ethylcyclohexanol was 0:100. trans-4-Ethyl-1-(1S-hydroxyethyl)cyclohexanol, obtained from biotransformation by means of an acyloin-type reaction, is reported here for the first time. The absolute configurations of the compounds trans-4-ethyl-1-(1S-hydroxyethyl)cyclohexanol and 4-(1S- and 4-(1R-hydroxyethyl)cyclohexanone were determined by NMR analysis of the corresponding Mosher's esters. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.11.001

文献信息

• NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES
  申请人：Merck Patent GmbH

  公开号：US20160168090A1

  公开（公告）日：2016-06-16

  The present invention relates to indole compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及吲哚化合物及其药用可接受的组合物，用作P2X7拮抗剂，用于治疗与P2X7相关的疾病。
• [EN] S1P MODULATING AGENTS<br/>[FR] AGENTS MODULATEURS DE S1P
  申请人：BIOGEN IDEC INC

  公开号：WO2014120764A1

  公开（公告）日：2014-08-07

  Compounds of formula (I) can modulate the activity of one or more S 1P receptors. Sphingosine 1-phosphate (S IP) is a lysophospholipid mediator that evokes a variety of cellular responses by stimulation of five members of the endothelial cell differentiation gene (EDG) receptor family, namely S1P1, S1P2, S1P3, S1P4, and S1P5 (formerly EDG1, EDG5, EDG3, EDG6 and EDG8). The EDG receptors are G-protein coupled receptors (GPCRs) and on stimulation propagate second messenger signals via activation of heterotrimeric G-protein alpha (Ga.) subunits and beta-gamma (G()y) dimers.

  化合物的化学式（I）可以调节一个或多个S1P受体的活性。神经鞘氨醇1-磷酸（S1P）是一种溶酶磷脂介质，通过刺激内皮细胞分化基因（EDG）受体家族的五个成员，即S1P1、S1P2、S1P3、S1P4和S1P5（以前称为EDG1、EDG5、EDG3、EDG6和EDG8），引发各种细胞反应。EDG受体是G蛋白偶联受体（GPCRs），在受到刺激时通过激活异源三聚体G蛋白α（Ga.）亚基和β-γ（Gβγ）二聚体传递第二信使信号。
• <i>trans</i>-Selective and Switchable Arene Hydrogenation of Phenol Derivatives
  作者：Marco Wollenburg、Arne Heusler、Klaus Bergander、Frank Glorius

  DOI：10.1021/acscatal.0c03423

  日期：2020.10.2

  A trans-selective arene hydrogenation of abundant phenol derivatives catalyzed by a commercially available heterogeneous palladium catalyst is reported. The described method tolerates a variety of functional groups and provides access to a broad scope of trans-configurated cyclohexanols as potential building blocks for life sciences and beyond in a one-step procedure. The transformation is strategically

  甲反式报告由市售的非均相钯催化剂催化丰富酚衍生物的芳烃-选择性加氢。所描述的方法可耐受多种功能基团，并在一站式过程中提供了广泛范围的反式配置环己醇作为生命科学及其他领域潜在的构建基块。由于芳烃氢化优先提供相反的顺式异构体，因此该转化在战略上很重要。通过使用铑基催化剂，可以将苯酚氢化的非对映选择性转变为顺式异构体。此外，开发了将苯酚化学选择性氢化成环己酮的方案。
• [EN] HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES SERVANT D'INHIBITEURS D'IRAK, ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2017049068A1

  公开（公告）日：2017-03-23

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as IRAK inhibitors.

  本发明涉及式(I)化合物及其药用可接受的组合物，作为IRAK抑制剂。
• Raney Ni–Al alloy-mediated reduction of alkylated phenols in water
  作者：Song-Liang Tan、Guo-Bin Liu、Xiang Gao、Thies Thiemann

  DOI：10.3184/030823409x393637

  日期：2009.1

  Raney Ni–Al alloy in a dilute aqueous alkaline solution has been shown to be a very powerful reducing agent in the hydrogenation of phenol and alkylated phenols to the corresponding cyclohexanol derivatives.

  在苯酚和烷基化苯酚氢化成相应的环己醇衍生物的过程中，稀碱性水溶液中的 Raney Ni-Al 合金被证明是一种非常强大的还原剂。

表征谱图