4'-癸氧基乙酰苯 | 18099-59-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4'-癸氧基乙酰苯
• 中文别名: 1-[4-(十氧基)苯基]乙酮
• 英文名称: 4-decyloxyacetophenone
• 英文别名: 1-(4-decyloxy-phenyl)-ethanone；1-(4-(Decyloxy)phenyl)ethanone；1-(4-decoxyphenyl)ethanone
• CAS: 18099-59-7
• 化学式: C₁₈H₂₈O₂
• mdl: MFCD00216911
• 分子量: 276.419
• InChiKey: UVDHIFJLWNPHLV-UHFFFAOYSA-N

物化性质

• 熔点：
  35-37 °C
• 沸点：
  379.32°C (rough estimate)
• 密度：
  0.9804 (rough estimate)
• 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)：
  6.2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.611
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914509090
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	4 -Decyloxyacetophenone 99% (GC) Material Safety Data Sheet
Synonym:	None Known
CAS:	18099-59-7

Section 1 - Chemical Product MSDS Name:4 -Decyloxyacetophenone 99% (GC) Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18099-59-7	4'-Decyloxyacetophenone	99%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

---

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18099-59-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 35.00 - 37.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H28O2
Molecular Weight: 276.41

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18099-59-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4'-Decyloxyacetophenone - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 18099-59-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18099-59-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18099-59-7 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4'-癸氧基乙酰苯 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 α-bromomethyl p(n-dicyloxy)phenyl cetone
  参考文献：
  名称：

  Chann, N. B.; Cotrait, M.; Gautlier, J., Molecular Crystals and Liquid Crystals (1969-1991), 1983, vol. 101, p. 129 - 142

  摘要：

  DOI：
• 作为产物：
  描述：

  癸基溴 、 对羟基苯乙酮 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 4'-癸氧基乙酰苯
  参考文献：
  名称：

  液晶行为、光致发光和气体传感：带有查尔酮基团的新型离子液晶咪唑和苯并咪唑系列、合成和表征

  摘要：

  合成了四个新系列的含咪唑溴盐和苯并咪唑溴盐的查耳酮，并具有间隔烷基链（C n ， n = 2和4），并通过多种技术方法对其化学结构、热行为、光致发光和气敏特性进行了表征。研究表明，合成的化合物具有类似的介晶性质，取决于末端烷基链和烷氧基间隔基的长度。几乎所有具有较短烷基链的化合物4a-4e 、 5a-5c 、 6a-6c和7a-7d都没有表现出液晶特性，而其他化合物的结果证实了近晶A在冷却和加热循环中的存在。还研究了化合物5a–5i和7a–7i的光致发光。蓝色区域的发射表明该材料具有蓝光发射特性。研究了化合物4i和5i对于NH 3和NO 2气体的传感行为。该传感器对NH 3表现出高灵敏度，而对氧化气体NO 2的灵敏度较低。

  DOI：

  10.1039/d1ra07731g

文献信息

• Mesogenic heterocycles formed by bis-pyrazoles and bis-1,3,4-oxadiazoles
  作者：Kuan-Ting Lin、Gene-Hsiang Lee、Chung K. Lai

  DOI：10.1016/j.tet.2015.04.055

  日期：2015.6

  Three new series of compounds 1a–c containing multiple heterocyclic 2,5-pyrazoles, 1,3,4-oxadiazole and thiophene exhibiting mesophases were reported. Crystallographic data showed that the crystal 1a (n=8) is a linear-shaped molecule with a molecular length of ca. 40.57 Å. However, three heterocyclic rings were not coplanar. All compounds 1a formed smectic A/C phases, and all compounds 1c exhibited columnar

  报道了三个新的系列化合物1a – c，其中包含多个显示中间相的杂环2,5,5-吡唑，1,3,4-恶二唑和噻吩。晶体学数据表明，晶体1a（n = 8）是线型分子，分子长为。40.57Å。但是，三个杂环不是共面的。所有化合物1a均形成近晶A / C相，并且所有化合物1c均显示出柱状相，这通过粉末X射线衍射仪（XRD）证实。对于导数1c，在9.0埃厚的切片中获得了一个N电池，R ar值等于3.91和18.29Å（n = 8），表明在Col h相的列内两个分子是相关的。通过热重分析（TGA），所有衍生物在T = 383–426°C以下的温度下均表现出良好的稳定性。所有化合物的PL光谱图1b - Ç（Ñ = 8）显示出一个强峰在λ最大= 428-496纳米，且这些光致发光发射（PL）源自1,3,4-恶二唑基部分。
• Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates
  作者：Ya-Wen Chen、Yen-Chun Lin、Hsiu-Ming Kuo、Chung K. Lai

  DOI：10.1039/c7tc01425b

  日期：——

  of bis-(boron difluoride) complexes 1a–c derived from substituted tetraketonates 2a–c are reported, and their mesomorphic and optical properties have been investigated. Two single crystals of mesogenic ligand 2a (n = 6) and nonmesogenic diboron complex 1a (n = 14) were obtained, and their single crystal and molecular structures were resolved. Results show that all 2a ligands (n = 6, 8, 10, 12, 14) formed

  据报道，由取代的四酮酸酯2a-c衍生出三个新的双-（二氟化硼）配合物1a-c系列，并研究了它们的介晶和光学性质。获得了两个介晶配体2a（n = 6）和非介晶二硼配合物1a（n = 14）的单晶，并解析了它们的单晶和分子结构。结果表明，所有2a配体（n = 6、8、10、12、14）均形成向列和/或近晶C相。但是，所有2b–c化合物都不是介晶的。相反，bis（BF 2）络合物1a–b是非介晶的，1c（n = 8、10、12）表现出对映体柱状中间相。对于化合物1c，在9.0埃厚的柱层中获得了N cell = 2.70–2.86 ，这表明在Col h相中，单个盘状分子堆叠在柱中。在室温下，Bis（BF 2）络合物1a–c（n = 8）在溶液中具有明显的黄红色发射。发光发射显示对结构部分有很强的依赖性结合，与λ最大= 538（1A）<641（图1b）<708纳米（1C）。据我们所知，这是柱状bis（BF
• 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME
  申请人：Shibata Norio

  公开号：US20110319637A1

  公开（公告）日：2011-12-29

  A 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethyl group introduction agent that is effective as an intermediate in pharmaceutical and agrochemical synthesis, a production method thereof, and a production method of a monofluoromethyl group-containing compound using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative are provided. The 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative represented by the following general formula (1) (wherein R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a straight-chain or branched alkyl group having 1 to 4 carbon atoms, a straight-chain or branched alkyloxy group having 1 to 4 carbon atoms, a halogen atom, a nitro group, or a cyano group), the production method thereof, and various monofluoromethyl group-containing compounds are manufactured using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethylating agent.

  一种2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基基团引入剂，可作为制药和农药合成中间体，提供其生产方法，以及使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物制备含单氟甲基基团的化合物的生产方法。所述2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物由下述通用式（1）表示（其中R1、R2、R3和R4各自独立地表示氢原子、具有1至4个碳原子的直链或支链烷基基团、具有1至4个碳原子的直链或支链烷氧基基团、卤素原子、硝基团或氰基团），提供其生产方法，并使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基化剂制造各种含单氟甲基基团的化合物。
• Precursors for fragrant ketones and fragrant aldehydes
  申请人：Givaudan SA

  公开号：EP1262473A1

  公开（公告）日：2002-12-04

  The present invention refers to fragrance precursors of formula I for a fragrant ketone of formula II and one or more fragrant aldehydes or ketones of formula III and IV, These fragrance precursors are useful in perfumery, especially in the fine and functional perfumery.

  本发明涉及公式I的香气前体，用于公式II的芳香酮和公式III和IV的一个或多个芳香醛或酮，这些香气前体在香水制造中特别有用，尤其是在精细和功能性香水中。
• Quinoxaline compound, liquid crystal composition containing the
  申请人：Canon Kabushiki Kaisha

  公开号：US05512209A1

  公开（公告）日：1996-04-30

  A quinoxaline compound of the formula (I) according to claim 1 characterized by having at least one quinoxaline-2,6 (or 2,7)-diyl group is suitable as a component for a liquid crystal composition providing improved response characteristics and a high contrast. A liquid crystal device is constituted by disposing the liquid crystal composition between a pair of electrode plates. The liquid crystal device is used as a display panel constituting a display apparatus providing good display characteristics.

  根据权利要求1所述的式(I)喹喔啉化合物，其特征在于至少含有一个喹喔啉-2,6(或2,7)-二基团，适合作为液晶组合物的组分，该组合物能提供改进的响应特性和高对比度。液晶器件通过将该液晶组合物置于一对电极板之间构成。该液晶器件用作显示面板，构成具有良好显示特性的显示装置。