115-83-3

• 常用中文名：季戊四醇硬脂酸酯
• 常用英文名：Pentaerythritol Tetrastearate (so called)
• CAS号：115-83-3
• 分子式：C₇₇H₁₄₈O₈
• 分子量：1201.994
• 相关类别： 表面活性剂 非离子表面活性剂 多元醇酯型
• 发布时间：2018-05-21 08:00:00
• 更新时间：2024-01-03 01:43:09
• 季戊四醇四硬脂酸酯是一种生物化学试剂,可作为生物材料或有机化合物进行生命科学相关研究。

名称

• 中文名: 季戊四醇硬脂酸酯
• 英文名: Pentaerythrityl tetrastearate
• 中文别名: 五赤藓醇四硬酯酸酯; 四硬脂酸季戊四酯; 季戊四醇四硬脂酸酯
• 英文别名: 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate (non-preferred name); Tetra-O-stearoyl-pentaerythrit; Pentaerythritl tetrastearate; pentaerythritetetra-n-stearate; octadecanoic acid, 3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propyl ester; PE TETRASTEARATE; Pentaerythritol Tetrastearate (so called); tetra-O-stearoyl-pentaerythritol; pentaerythrityl tetraisostearate; EINECS 204-110-1; 3-(Stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propyl stearate; Pentaerythritol tetraoctadecanoate; 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate; PENTAERYTHRITYL STEARATE; PENTAERYTHRITOL TETRASTEARATE; MFCD00041922; OCTADECANOIC ACID, 2,2-BIS[[(1-OXOOCTADECYL)OXY]METHYL]-1,3-PROPANEDIYL ESTER

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 998.5±60.0 °C at 760 mmHg
• 熔点: 60-66 °C
• 分子式: C₇₇H₁₄₈O₈
• 分子量: 1201.994
• 闪点: 342.4±32.9 °C
• 精确质量: 1201.117432
• PSA: 105.20000
• LogP: 34.01
• 外观性状: 白色珠子
• 蒸汽压: 0.0±0.3 mmHg at 25°C
• 折射率: 1.469
• 稳定性:

  性状黄色液体。浓度为10%时溶于苯、庚烷、异丙醇和植物油呈浑浊。有润肤、增稠及润滑性能。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：33.5

  2、 氢键供体数量：0

  3、 氢键受体数量：8

  4、 可旋转化学键数量：76

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：105

  7、 重原子数量：85

  8、 表面电荷：0

  9、 复杂度：1180

  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,20℃）：0.94

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：71

  5. 沸点（ºC,常压）：261

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：247

  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（mmHg,ºC）：未确定

  12. 饱和蒸气压（kPa, ºC）：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

生物活性

• 描述: 季戊四醇四硬脂酸酯是一种生物化学试剂,可作为生物材料或有机化合物进行生命科学相关研究。
• 相关类别:
  研究领域 >> 其他

MSDS

Name: Pentaerythrityl Tetrastearate (Pract) Material Safety Data Sheet Synonym: Octadecanoic Acid; 2,2-bis(1-Oxooctadecyl)Oxymethyl-1,3-Propanediyester CAS: 115-83-3 Section 1 - Chemical Product MSDS Name:Pentaerythrityl Tetrastearate (Pract) Material Safety Data Sheet Synonym:Octadecanoic Acid; 2,2-bis(1-Oxooctadecyl)Oxymethyl-1,3-Propanediyester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 115-83-3 Octadecanoic acid,2,2-bis(1-oxooctadec ca 100 204-110-1 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. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 115-83-3: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 71 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: .9400g/cm3 Molecular Formula: C77H148O8 Molecular Weight: 1202.02 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# 115-83-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Octadecanoic acid,2,2-bis(1-oxooctadecyl)oxymethyl-1,3-propa - 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# 115-83-3: No information available. Canada CAS# 115-83-3 is listed on Canada's DSL List. CAS# 115-83-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 115-83-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 生态学数据:

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 3824909990

合成路线

115-77-5 112-76-5 ~% 115-83-3

文献：Journal of the American Oil Chemists' Society, , vol. 35, p. 416

115-77-5 57-11-4 ~% 115-83-3

文献：Fette und Seifen, , vol. 61, p. 868,869 Ann.Fac.Sci.Marseille, , vol. 20, p. 39,59

制备

油酸与季戊四醇酯化制得。

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%