15872-48-7

• 常用中文名：4-十六烷氧基苯甲酸
• 常用英文名：Benzoic acid,4-(hexadecyloxy)-
• CAS号：15872-48-7
• 分子式：C₂₃H₃₈O₃
• 分子量：362.54600
• 发布时间：2018-04-23 08:00:00
• 更新时间：2024-01-02 19:18:22

名称

• 中文名: 4-十六烷氧基苯甲酸
• 英文名: 4-hexadecoxybenzoic acid
• 英文别名: 4-hexadecyloxy-benzoic acid; 4-Hexadecyloxy-benzoesaeure; p-Hexadecyloxybenzoic acid; 4-n-hexadecyloxybenzoic acid

物化性质

• 密度: 0.97g/cm3
• 沸点: 481.9ºC at 760 mmHg
• 熔点: 132ºC
• 分子式: C₂₃H₃₈O₃
• 分子量: 362.54600
• 闪点: 154.2ºC
• 精确质量: 362.28200
• PSA: 46.53000
• LogP: 7.24490
• 蒸汽压: 4.27E-10mmHg at 25°C
• 折射率: 1.497
• 分子结构:

  分子性质数据：

  1、 摩尔折射率：109.35

  2、 摩尔体积（m³/mol）：373.5

  3、 等张比容（90.2K）：922.8

  4、 表面张力（dyne/cm）：37.2

  5、 极化率（10^-24cm³）：43.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:17

  5.互变异构体数量:无

  6.拓扑分子极性表面积46.5

  7.重原子数量:26

  8.表面电荷:0

  9.复杂度:321

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.性状：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：132

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：未确定

MSDS

Name: 4-Hexadecyloxybenzoic acid 98% Material Safety Data Sheet Synonym: Non CAS: 15872-48-7 Section 1 - Chemical Product MSDS Name:4-Hexadecyloxybenzoic acid 98% Material Safety Data Sheet Synonym:Non Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 15872-48-7 4-Hexadecyloxybenzoic acid, 98% 98% 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 15872-48-7: 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 132 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C23H38O3 Molecular Weight: 362.54 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: None reported. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 15872-48-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Hexadecyloxybenzoic acid, 98% - 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. WGK (Water Danger/Protection) CAS# 15872-48-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 15872-48-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 15872-48-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): 24/25

合成路线

112-82-3 99-96-7 ~% 15872-48-7

文献：Bulletin de la Societe Chimique de France, , # 4 p. 532 - 536

40654-35-1 ~82% 15872-48-7

文献：Seshadri, Tarimala; Haupt, Hans-Juergen Journal of Materials Chemistry, 1998 , vol. 8, # 6 p. 1345 - 1350

99-76-3 ~% 15872-48-7

文献：Journal of Materials Chemistry, , vol. 14, # 11 p. 1722 - 1730

62443-20-3 ~% 15872-48-7

文献：Supramolecular Chemistry, , vol. 22, # 1 p. 1 - 12

112-82-3 ~% 15872-48-7

文献：Journal of Materials Chemistry, , vol. 14, # 11 p. 1722 - 1730

4860-03-1 ~% 15872-48-7

文献：Journal of Medicinal Chemistry, , vol. 20, p. 781 - 791

99-96-7 ~% 15872-48-7

文献：Molecular Crystals and Liquid Crystals, , vol. 569, # 1 p. 57 - 63 Molecular Crystals and Liquid Crystals, , vol. 569, # 1 p. 64 - 71 Molecular Crystals and Liquid Crystals, , vol. 582, # 1 p. 63 - 71 Molecular Crystals and Liquid Crystals, , vol. 582, # 1 p. 79 - 87

120-47-8 ~% 15872-48-7

文献：Chinese Chemical Letters, , vol. 22, # 5 p. 619 - 622

544-77-4 ~% 15872-48-7

文献：Journal of the Chemical Society, , p. 1874

上下游产品

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