94-28-0

• 常用中文名：三乙二醇二异辛酸酯
• 常用英文名：UNII:GE16EV367Q
• CAS号：94-28-0
• 分子式：C₂₂H₄₂O₆
• 分子量：402.565
• 相关类别： 化学试剂 有机试剂 脂肪酮(含烯醇)
• 发布时间：2018-09-01 08:08:58
• 更新时间：2024-01-02 17:09:01
• 本品为溶剂型耐寒增塑剂，具有优良的低温性、耐久性、耐油性、耐紫外线照射和抗静电性，且具有粘度低和一定的润滑性。可与许多天然树脂、合成橡胶相容，可溶于许多有机溶剂，但不溶于矿物油。在增塑糊中有触变性，非常适合于有特殊用途的应用。

名称

• 中文名: 三乙二醇二异辛酸酯
• 英文名: 2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
• 中文别名: 三甘醇二异辛酸酯; 三(乙二醇)双(2-乙基己酸酯); 三甘醇二-2-乙基己酸酯
• 英文别名: Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester; Flexol 3GO; 1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(2-ethylhexanoate); Ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-ethylhexanoate); EINECS 202-319-2; triethylene glycol di-2-ethylhexanoate; MFCD00072285; 2-ethyl-hexanoic acid; UNII:GE16EV367Q; Flexol plasticizer 3GO

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 463.5±25.0 °C at 760 mmHg
• 熔点: −50 °C(lit.)
• 分子式: C₂₂H₄₂O₆
• 分子量: 402.565
• 闪点: 194.6±23.2 °C
• 精确质量: 402.298126
• PSA: 71.06000
• LogP: 5.57
• 外观性状: 无色液体
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.451
• 储存条件:

  密封贮藏，储存在阴凉、干燥地方。

• 稳定性:

  常温常压下稳定，避免与不相容材料接触。

  与强氧化剂反应。
• 水溶解性: 不溶
• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.4

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:21

  5.互变异构体数量:无

  6.拓扑分子极性表面积71.1

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:349

  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:2

  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：淡黄色透明液体

  2. 密度（g/mL,25℃）：0.97

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-50

  5. 沸点（ºC,常压）：344

  6. 沸点（ºC,12mmHg）：未确定

  7. 折射率(n20/D)：1.445（lit.）

  8. 闪点（ºF）：＞230

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：385

  11. 蒸气压（mmHg,40ºC）：未确定

  12. 饱和蒸气压（kPa,125ºC）：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）：0.46

  19. 溶解性：不溶于水

MSDS

Name: Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet Synonym: CAS: 94-28-0 Section 1 - Chemical Product MSDS Name: Triethylene glycol bis(2-ethylhexanoate) Material Safety Data Sheet Synonym: SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 94-28-0 Triethylene glycol bis(2-ethylhexanoat 100 202-319-2 Hazard Symbols: None Listed. Risk Phrases: None Listed. SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: May cause respiratory tract irritation. Chronic: Not available. 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. Wash clothing before reuse. 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 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. 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: 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. Provide ventilation. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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# 94-28-0: 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: Not available. Viscosity: Not available. Boiling Point: 219 deg C @ 5.00mm Hg Freezing/Melting Point: -50 deg C Autoignition Temperature: 725 deg F ( 385.00 deg C) Flash Point: 390 deg F ( 198.89 deg C) Explosion Limits, lower: 0.46 volume % Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Negligible. Specific Gravity/Density: .9670g/cm3 Molecular Formula: C22H42O6 Molecular Weight: 402.57 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Will not occur. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 94-28-0: MO7725000 LD50/LC50: CAS# 94-28-0: Dermal, guinea pig: LD50 = >20 mL/kg; Oral, mouse: LD50 = >3200 mg/kg; Oral, rat: LD50 = 31 gm/kg; Skin, rabbit: LD50 = 14100 uL/kg. Carcinogenicity: Triethylene glycol bis(2-ethylhexanoate) - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. SECTION 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Fathead Minnow: > 100 microliters/l; 96 hr. 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# 94-28-0: 1 Canada CAS# 94-28-0 is listed on Canada's DSL List. CAS# 94-28-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 94-28-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 6/02/1998 Revision #3 Date: 2/04/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 皮肤/眼睛刺激性 开放的刺激试验：兔子，皮肤接触：500mg，反应的严重程度：轻度。 2、 急性毒性：大鼠经口LD50：31mg/kg；小鼠经口LD50：>3200mg/kg；兔子经皮肤接触LD50：14100μL /kg；豚鼠经口LD50：21mg/kg；豚鼠经皮肤接触LD50：>20mL/kg； 生态学数据: 对水是极其危害的，即使是小量，对水体中的鱼和浮游生物是有毒害的。 CHEMICAL IDENTIFICATION RTECS NUMBER : MO7725000 CHEMICAL NAME : Hexanoic acid, 2-ethyl-, diester with triethylene glycol CAS REGISTRY NUMBER : 94-28-0 BEILSTEIN REFERENCE NO. : 1806809 LAST UPDATED : 199712 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C22-H42-O6 MOLECULAR WEIGHT : 402.64 WISWESSER LINE NOTATION : 4Y2&VO2O2O2OVY4&2 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: 7/21/1971 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 31 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >3200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533587 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 14100 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: 7/21/1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 21 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : >20 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533587 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1871 No. of Facilities: 18 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 104 (estimated)

安全

• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed.
• 安全声明 (欧洲): 24/25
• WGK德国: -
• RTECS号: MO7725000
• 海关编码: 2918990090

合成路线

149-57-5 112-27-6 ~% 94-28-0

文献：US2011/87044 A1, ; Page/Page column 5; 6 ;

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%