4-甲基-1-萘乙酮 | 28418-86-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-甲基-1-萘乙酮
• 中文别名: 4-乙酰-1-甲基萘；4-甲基萘乙酮
• 英文名称: 1-acetyl-4-methylnaphthalene
• 英文别名: 4-methyl-1-acetonaphthone；1-Methyl-4-acetylnaphthalin；1-(4-methylnaphthalen-1-yl)ethan-1-one；4-acetyl-1-methylnaphthalene；1-(4-Methylnaphthalen-1-yl)ethanone
• CAS: 28418-86-2
• 化学式: C₁₃H₁₂O
• mdl: MFCD00671556
• 分子量: 184.238
• InChiKey: BKGIZYOJHJKFJP-UHFFFAOYSA-N

物化性质

• 熔点：
  39 °C
• 沸点：
  136 °C / 2mmHg
• 密度：
  1.075
• 闪点：
  140℃
• 稳定性/保质期：
  如果遵照规格使用和储存，则不会分解，未有已知危险反应。避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090
• 储存条件：
  请将贮藏器密封，并存放在阴凉、干燥处。同时，确保工作环境具有良好的通风或排气设施。

SDS

4-Methyl-1-acetonaphthone Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-Methyl-1-acetonaphthone

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 4
Category 4
Acute toxicity (Dermal)
Acute toxicity (Inhalation) Category 4
Category 2
Germ cell mutagenicity
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Harmful if swallowed, in contact with skin or if inhaled
Suspected of causing genetic defects
Precautionary statements:
Obtain special instructions before use.
[Prevention]
Do not handle until all safety precautions have been read and understood.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF ON SKIN: Gently wash with plenty of soap and water.
Wash contaminated clothing before reuse.
IF exposed or concerned: Get medical advice/attention.
[Storage] Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.
4-Methyl-1-acetonaphthone

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-Methyl-1-acetonaphthone
Percent: >95.0%(GC)
CAS Number: 28418-86-2
Synonyms: 1-Acetyl-4-methylnaphthalene
Chemical Formula: C13H12O

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Get medical advice/attention.
Ingestion: Get medical advice/attention.Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
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
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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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 dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid all contact!
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
4-Methyl-1-acetonaphthone

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Form: Crystal
Colour: White - Slightly pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:39°C
Boiling point/range: 136°C/0.3kPa
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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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:
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
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
4-Methyl-1-acetonaphthone

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Section 12. ECOLOGICAL INFORMATION
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 dissolve or mix material
with a combustible solvent and 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
Not listed
UN-No:

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-甲基-1-萘乙酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以94%的产率得到1-甲基-4-(1-羟基乙基)萘
  参考文献：
  名称：

  仲醇硅烷化中的取代基作用：机理研究

  摘要：

  已测量了由9-氮杂唑烷（TCAP）催化的CD4 3中的叔丁基二甲基甲硅烷基氯（TBSCl）使C4取代的1-（萘-1-基）乙醇底物甲硅烷基化的相对速率。所得选择性数据的Hammett图分析得出两个相交的线性相关性。对于供体取代的醇，观察到较小的正斜率ρ = + 0.09，而对于受体取代的醇，甲硅烷基化速率与负斜率稍大相关（ρ = -0.48）。4-（N，N）催化甲醇与TBSCl的反应。二甲基氨基）吡啶（DMAP）已在氯仿溶液中以几种不同的理论水平进行了研究。甲硅烷基化的DMAP与甲醇之间的甲硅烷基转移发生在极其平坦的表面上，几乎没有定义最小和过渡态。TBSCl与C4取代的1-（萘-1-基）乙醇化合物的路易斯碱和一般碱催化的反应机理的反应途径计算预测了这两种途径的紧密竞争。

  DOI：

  10.1002/chem.201803014
• 作为产物：
  描述：

  甲基萘 、 乙酰氯 在 aluminum (III) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 4-甲基-1-萘乙酮
  参考文献：
  名称：

  通过C-H活化/自由基反应/ CH-H活化序列的合成

  摘要：

  本文披露的是CH活化和自由基化学的融合，通过在氧化条件下α-乙酰基萘与炔烃的融合，可以快速进入结构多样的稠合碳杂螺旋烯族。该级联过程显示出出色的化学选择性和区域选择性。通过中间分离，对照实验，自由基捕获，EPR，MALDI-TOF-MS和ESI-HRMS实验对反应途径进行了分析，结果表明该反应途径涉及C2-H活化/自由基反应/ C8-H活化中继。

  DOI：

  10.1002/anie.201811023

文献信息

• Palladium catalyzed decarboxylative acylation of arylboronic acid with ethyl cyanoacetate as a new acylating agent: synthesis of alkyl aryl ketones
  作者：Md Yousuf、Tuluma Das、Susanta Adhikari

  DOI：10.1039/c5nj01597a

  日期：——

  containing various functional groups was performed efficiently by ethyl cyanoacetate/substituted ethyl cyanoacetate as the acylating agent in aqueous triflic acid medium. The alkyl aryl ketones were obtained in good to excellent yields, first by addition of arylboronic acid to the nitrile group of ethyl cyanoacetate and their derivatives, followed by in situ decarboxylation of the resulting β-ketoester

  氰基乙酸乙酯/取代的氰基乙酸乙酯作为酰化剂，在三氟甲磺酸水溶液中有效地进行了钯催化的含各种官能团的芳基硼酸的酰化反应。首先通过将芳基硼酸加到氰基乙酸乙酯及其衍生物的腈基上，然后将所得的β-酮酯原位脱羧，从而以良好或优异的产率获得烷基芳基酮。
• INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES
  申请人：Mihara Jun

  公开号：US20100179194A1

  公开（公告）日：2010-07-15

  The present invention relates to novel aryl isoxazoline derivatives having excellent insecticidal activity as insecticides and represented by the formula: and their use as insecticides and acarizides.

  这项发明涉及具有优异杀虫活性的新型芳基异噁唑啉衍生物作为杀虫剂的代表公式： 以及它们作为杀虫剂和杀螨剂的用途。
• Solvent-free synthesis, spectral correlations and antimicrobial activities of some aryl E 2-propen-1-ones
  作者：K. Sathiyamoorthi、V. Mala、S.P. Sakthinathan、D. Kamalakkannan、R. Suresh、G. Vanangamudi、G. Thirunarayanan

  DOI：10.1016/j.saa.2013.04.048

  日期：2013.8

  Totally 38 aryl E 2-propen-1-ones including nine substituted styryl 4-iodophenyl ketones have been synthesised using solvent-free SiO2-H3PO4 catalyzed Aldol condensation between respective methyl ketones and substituted benzaldehydes under microwave irradiation. The yields of the ketones are more than 80%. The synthesised chalcones were characterized by their analytical, physical and spectroscopic

  在微波辐射下，使用无溶剂的SiO2-H3PO4催化的Aldol缩合反应，合成了38个芳基E 2-丙-1-酮，其中包括9个取代的苯乙烯基4-碘苯基酮。酮的产率超过80％。合成的查耳酮以其分析，物理和光谱数据为特征。使用单线性回归分析，已合成的取代苯乙烯基4-碘苯基酮的光谱频率已与哈米特取代基常数，F和R参数相关联。使用Bauer-Kirby方法研究了4-碘苯基查耳酮的抗菌活性。
• The Substituent Effect. X. Solvolysis of 3- and 4-Substituted 1-(1-Naphthylethyl) Chlorides
  作者：Yuho Tsuno、Masami Sawada、Takahiro Fujii、Yasuhide Yukawa

  DOI：10.1246/bcsj.48.3347

  日期：1975.11

  Fourteen 5-, 6-, and 7-substituted 1-(1-naphthylethyl) chlorides were prepared and the solvolysis rates were determined in 80% (v/v) aqueous acetone at 45 °C. The effects of −R substituents at respective positions were treated on the basis of the equation, logk⁄k0=ρiσi+ρx+σx+=ρ(Cijσi+qrij+σπ+). The position dependency of the inductive effect was given by Cij(=ρi⁄ρi,4α); C3α=1.37, C4α=1.00, C5α=0.75

  制备了 14 种 5-、6- 和 7-取代的 1-(1-萘基乙基) 氯化物，并在 45 °C 下在 80% (v/v) 丙酮水溶液中测定溶剂分解速率。各位置-R取代基的影响按等式处理，logk⁄k0=ρiσi+ρx+σx+=ρ(Cijσi+qrij+σπ+)。感应效应的位置依赖性由 Cij(=ρi⁄ρi,4α) 给出；C3α=1.37、C4α=1.00、C5α=0.75、C6α=0.57、C7α=0.72。Cij 值似乎与杜瓦的简化场函数 1/rij 相关。由比率 ρπ+⁄ρi,4α=qr·ij+ 给出的 Pi 电子效应的位置依赖性与 MO 指数的预测一致，例如 Forsyth 的 Δqij(ArCH2+ 参数。同样的处理也适用于其他三种萘反应性、脱氚、α-萘甲酸的 pKa 和萘基铵离子的 pKa。线性 ρi-ρi 关系在这些反应之间成立，表明感应传输的反应独立方案。qr·ij+ 值在共轭位置随
• [EN] NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME<br/>[FR] COMPOSITIONS NEUROPROTECTRICES ET LEURS MÉTHODES D'UTILISATION
  申请人：THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE

  公开号：WO2019222393A1

  公开（公告）日：2019-11-21

  This invention is directed to neuroprotective compositions and methods of using the same to treat neurodegenerative diseases.

  这项发明涉及神经保护性组合物和使用这些组合物治疗神经退行性疾病的方法。