27554-26-3

• 常用中文名：邻苯二甲酸二异辛酯
• 常用英文名：DIISOOCTYL PHTHALATE
• CAS号：27554-26-3
• 分子式：C₂₄H₃₈O₄
• 分子量：390.556
• 相关类别： 催化剂及助剂 塑料橡胶助剂
• 发布时间：2018-06-10 20:17:11
• 更新时间：2024-01-04 09:59:51
• 【用途一】
  用作增塑剂
  【用途二】
  用作气相色谱固定液、韧化剂、溶剂及增塑剂

名称

• 中文名: 邻苯二甲酸二异辛酯
• 英文名: Diisooctyl phthalate
• 中文别名: 邻苯二甲酸二(2-乙基己基)酯
• 英文别名: DIISOOCTYL PHTHALATE; 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester; MFCD00036241; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Bis(6-methylheptyl) phthalate; EINECS 248-523-5

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 384.9±10.0 °C at 760 mmHg
• 熔点: -43ºC
• 分子式: C₂₄H₃₈O₄
• 分子量: 390.556
• 闪点: 204.5±8.5 °C
• 精确质量: 390.277008
• PSA: 52.60000
• LogP: 8.71
• 外观性状: 无色液体
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.489
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:16

  5.互变异构体数量:无

  6.拓扑分子极性表面积52.6

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:390

  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：无可用

  2. 密度（g/mL,25/4℃）：0.983

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.486

  8. 闪点（ºC）：113

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：1

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: Di-iso-octyl phthalate Material Safety Data Sheet Synonym: 1,2-Benzenedicarboxylic acid, diisooctyl ester; phthalic acid, bis(6-methylheptyl)ester CAS: 27554-26-3 Section 1 - Chemical Product MSDS Name:Di-iso-octyl phthalate Material Safety Data Sheet Synonym:1,2-Benzenedicarboxylic acid, diisooctyl ester; phthalic acid, bis(6-methylheptyl)ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 27554-26-3 Diisooctyl phthalate 100 % 248-523-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Carcinogen.Possible risks of irreversible effects.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 gastrointestinal irritation with nausea, vomiting and diarrhea. 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: May cause cancer in humans. May cause reproductive and fetal effects. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. 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: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 27554-26-3: United Kingdom, WEL - TWA: 5 mg/m3 TWA United Kingdom, WEL - STEL: 15 mg/m3 STEL 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: 1 mm Hg @ 200 C Viscosity: Not available. Boiling Point: 399 deg C Freezing/Melting Point: -50 deg C Autoignition Temperature: Not applicable. Flash Point: 227 deg C ( 440.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Insoluble in water. Specific Gravity/Density: 0.98 Molecular Formula: C24H38O4 Molecular Weight: 390.2636 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidants. 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# 27554-26-3: TI1300000 LD50/LC50: CAS# 27554-26-3: Oral, mouse: LD50 = 2769 mg/kg; Oral, rat: LD50 = 22 gm/kg; Skin, rabbit: LD50 = 12600 uL/kg. Carcinogenicity: Diisooctyl phthalate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling. 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: WGK (Water Danger/Protection) CAS# 27554-26-3: No information available. Canada CAS# 27554-26-3 is listed on Canada's DSL List. CAS# 27554-26-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 27554-26-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 试验1 试验方法：口服 摄入剂量： 22毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值 试验2 试验方法：口服 摄入剂量： 2769毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 试验3 试验方法：行政上的皮肤 摄入剂量： 12600瘤/公斤 测试对象：啮齿动物-兔 毒性类型：急性 毒性作用： 1详细的毒副作用没有报告以外的其他致死剂量值 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : TI1300000 CHEMICAL NAME : Phthalic acid, diisooctyl ester CAS REGISTRY NUMBER : 27554-26-3 LAST UPDATED : 199710 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C24-H38-O4 MOLECULAR WEIGHT : 390.62 WISWESSER LINE NOTATION : 1X1&1&1X1&1&OVR BVOX1&1&1X1&1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 6/11/1965 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 22 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 3,61,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2769 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 17(11),51,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 12600 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 6/11/1965 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-UNITED KINGDOM:TWA 5 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83445 No. of Facilities: 253 (estimated) No. of Industries: 8 No. of Occupations: 19 No. of Employees: 4770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83445 No. of Facilities: 387 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 5416 (estimated) No. of Female Employees: 158 (estimated)

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R2;R24/25
• 安全声明 (欧洲): S23-S36/37-S24/25-S2
• WGK德国: 1
• RTECS号: TI1300000

制备

1.行酯化。酯化是在减压下进行，真空度约需0.09MPa左右。酯化时间约3h。酯化时同时加入总物料量0.1%～0.3%的活性炭。粗酯经过5%左右的纯碱溶液中和，再用80～85℃的热水洗涤。分离水后的粗酯在130～140℃，真空度不低于0.09MPa条件下进行脱醇，直到粗酯闪点达到190℃以上为止。脱醇后的粗酯再以直接蒸汽蒸馏脱除低沸物。必要时可在脱醇时补加一定量的活性炭。粗酯最后经过滤，即得成品。要获得质量更高的产品，可将脱醇后的粗酯进行蒸馏，再经过滤。

2.连续法苯酐与异辛醇以(质量比1∶1.6)的比例投料，在总投料量0.5%的硫酸催化下，先于≤120℃的条件下进行单酯化。单酯液再连续进入酯化塔，在130～150℃、真空度0.09MPa条件下进行连续酯化。粗酯液以1/5体积的50℃热水进行洗涤，再用2%～3%的纯碱于60～70℃条件下连续中和。中和后的粗酯以1∶1体积的70～80℃水洗涤。洗涤后的粗酯中加入0.%活性炭，在真空度0.97MPa、预热温度150℃条件下连续脱醇。脱醇后的粗酯在100～120℃下压滤，即得成品。

3.间歇法　主要原料配比为苯酐∶异辛醇＝1∶2（质量比）,硫酸为总物料的0.25%～0.3%，活性炭为总物料的0.1%～0.3%。酯化在减压下进行，真空度约为0.09MPa，于150℃下进行酯化反应约3h。粗酯洗涤的温度为80～85℃；分离水后的粗酯在真空度0.09MPa、温度130～140℃的条件下进行连续脱醇，直到粗酯闪点达到190℃以上为止。脱酯后再进行蒸馏和压滤。

4.固载钛酸四丁酯催化剂酯化合成
固载钛酸四丁酯催化剂的制备　将一定量的活性炭用10%的稀硝酸淋洗，水洗至中性，再用去离子水回流2h，减压过滤，150℃干燥3h后加到含量为3%的钛酸四丁酯的无水乙醇溶液中，回流吸附2h，浸渍吸附24h，然后在烘箱中于80℃下干燥24h，取出放入干燥器中冷却备用。
在装有搅拌器、温度计、分水器和回流冷凝管的四口烧瓶中，按一定比例加入苯酐和２乙基己醇（醇酐摩尔比为2.8∶1），适量的固载催化剂（催化剂用量以0.5%～0.6%为宜）。开启搅拌，加热升温至210℃回流，反应至分水器内无水珠生成后，再持续反应2.5h。反应结束后，过滤分离出催化剂，在减压下以水蒸气蒸馏带出未反应的２乙基己醇，然后在减压下蒸干水，即产品DOP。