| 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 |
| 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 |
Synonym:Non Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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 |
| 安全声明 (欧洲) | 24/25 |
|---|
|
~%
15872-48-7 |
| 文献：Bulletin de la Societe Chimique de France, , # 4 p. 532 - 536 |
|
~82%
15872-48-7 |
| 文献：Seshadri, Tarimala; Haupt, Hans-Juergen Journal of Materials Chemistry, 1998 , vol. 8, # 6 p. 1345 - 1350 |
|
~%
15872-48-7 |
| 文献：Journal of Materials Chemistry, , vol. 14, # 11 p. 1722 - 1730 |
|
~%
15872-48-7 |
| 文献：Supramolecular Chemistry, , vol. 22, # 1 p. 1 - 12 |
|
~%
15872-48-7 |
| 文献：Journal of Materials Chemistry, , vol. 14, # 11 p. 1722 - 1730 |
|
~%
15872-48-7 |
| 文献：Journal of Medicinal Chemistry, , vol. 20, p. 781 - 791 |
|
~%
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 |
|
~%
15872-48-7 |
| 文献：Chinese Chemical Letters, , vol. 22, # 5 p. 619 - 622 |
|
~%
15872-48-7 |
| 文献：Journal of the Chemical Society, , p. 1874 |
