111-60-4

• 常用中文名：乙二醇单硬脂酸酯
• 常用英文名：Ethylene glycol monostearate
• CAS号：111-60-4
• 分子式：C₂₀H₄₀O₃
• 分子量：328.53000
• 相关类别： 化学试剂 有机试剂 酯类 酸酯类化合物
• 发布时间：2018-08-17 12:38:30
• 更新时间：2024-01-01 23:32:15
• 【用途一】
  在化妆品中用作乳化剂、分散剂、增溶剂，具有乳化、增溶、柔软、抗静电等性能

名称

• 中文名: 乙二醇单硬脂酸酯
• 英文名: 2-Hydroxyethyl stearate
• 中文别名: 十八酸-2-羟基乙基酯; 硬脂酸乙二酯
• 英文别名: EINECS 203-886-9; ethylene glycol monostearate; MFCD00051465

物化性质

• 密度: 0.913 g/cm3
• 沸点: 149 °C
• 熔点: 55-60 °C
• 分子式: C₂₀H₄₀O₃
• 分子量: 328.53000
• 闪点: 240ºC
• 精确质量: 328.29800
• PSA: 46.53000
• LogP: 5.78340
• 外观性状: 淡黄色蜡质片状
• 储存条件:

  塑料桶装。贮存于阴凉处。

• 稳定性:

  具有良好的乳化、分散、润滑、柔软、抗静电和珠光性能。

• 分子结构:

  1、 摩尔折射率：98.01

  2、 摩尔体积（cm³/mol）：359.6

  3、 等张比容（90.2K）：869.3

  4、 表面张力（dyne/cm）：34.1

  5、 极化率（10^-24cm³）：38.85

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：7.8

  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：19

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：46.5

  7、 重原子数量：23

  8、 表面电荷：0

  9、 复杂度：241

  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：为白色或奶油色固体

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：55-60

  5. 沸点（ºC,常压）：149

  6. 沸点（ºC,2.0kPa）：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,20 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：溶于乙醚、氯仿、丙酮、甲醇、乙醇、异乙醇、甲苯、豆油和矿物油，不溶于水。

MSDS

Name: 2-Hydroxyethyl stearate 95% Material Safety Data Sheet Synonym: Ethylene Glycol Stearate; Glycol Stearate CAS: 111-60-4 Section 1 - Chemical Product MSDS Name:2-Hydroxyethyl stearate 95% Material Safety Data Sheet Synonym:Ethylene Glycol Stearate; Glycol Stearate Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 111-60-4 2-Hydroxyethyl stearate 95% 203-886-9 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 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: 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with 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. 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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. Personal Protective Equipment Eyes: Not available. 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. Always use a NIOSH or European Standard EN 149 approved respirator when necessary. 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: 149 deg C Freezing/Melting Point: 57 - 59 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: insoluble Specific Gravity/Density: Molecular Formula: Molecular Weight: 328.53 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 111-60-4: WI4100000 LD50/LC50: CAS# 111-60-4: Draize test, rabbit, skin: 500 mg/24H Mild. Carcinogenicity: 2-Hydroxyethyl stearate - Not listed by ACGIH, IARC, or NTP. See actual entry in RTECS for complete information. 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 No information available. IMO No information available. RID/ADR No information available. 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# 111-60-4: 1 United Kingdom Occupational Exposure Limits United Kingdom Maximum Exposure Limits Canada CAS# 111-60-4 is listed on Canada's DSL List. CAS# 111-60-4 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 111-60-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : WI4100000 CHEMICAL NAME : Stearic acid, 2-hydroxyethyl ester CAS REGISTRY NUMBER : 111-60-4 BEILSTEIN REFERENCE NO. : 1794033 LAST UPDATED : 199706 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C20-H40-O3 MOLECULAR WEIGHT : 328.60 WISWESSER LINE NOTATION : Q2OV17 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 1(2),1,1982 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 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: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 32500 No. of Facilities: 1109 (estimated) No. of Industries: 13 No. of Occupations: 18 No. of Employees: 10112 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 32500 No. of Facilities: 5980 (estimated) No. of Industries: 42 No. of Occupations: 68 No. of Employees: 218214 (estimated) No. of Female Employees: 167909 (estimated)

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): R60
• 安全声明 (欧洲): S24/25-S45-S36/37/39-S28-S27-S26-S53
• RTECS号: WI4100000
• 海关编码: 2915709000

合成路线

107-21-1 112-76-5 ~68% 111-60-4

文献：Iwashita, Masazumi; Makide, Kumiko; Nonomura, Taro; Misumi, Yoshimasa; Otani, Yuko; Ishida, Mayuko; Taguchi, Ryo; Tsujimoto, Masafumi; Aoki, Junken; Arai, Hiroyuki; Ohwada, Tomohiko Journal of Medicinal Chemistry, 2009 , vol. 52, # 19 p. 5837 - 5863

638-08-4 107-21-1 ~39% 111-60-4

文献：THE MALAGHAN INSTITUTE OF MEDICAL RESEARCH; UNIVERSITY OF OTAGO; AGRESEARCH LIMITED Patent: WO2005/49631 A1, 2005 ; Location in patent: Page/Page column 61 ;

107-21-1 57-11-4 ~98% 111-60-4 627-83-8

文献：Hosseini-Sarvari, Mona; Sodagar, Esmat Comptes Rendus Chimie, 2013 , vol. 16, # 3 p. 229 - 238

107-21-1 57-11-4 ~78% 111-60-4

文献：Sharghi, Hashem; Sarvari, Mona Hosseini Tetrahedron, 2003 , vol. 59, # 20 p. 3627 - 3633

35438-71-2 57-11-4 ~% 111-60-4

文献：Journal of the Chemical Society, , p. 1918

112-76-5 ~% 111-60-4

文献：Journal of the Chemical Society, , p. 1043

64-17-5 94874-65-4 ~% 111-60-4

文献：Journal of the Chemical Society, , p. 1043

593-29-3 107-07-3 ~% 111-60-4

文献：Bulletin de la Societe Chimique de France, , p. 927 US1733639 , ;

上下游产品

上游产品  8
107-21-1 112-76-5 638-08-4 57-11-4
35438-71-2 64-17-5 593-29-3 107-07-3
下游产品  0

制备

将0.95mol硬脂酸、1mol乙二醇和催化剂量的硫酸投入反应釜中。加热回流，通过分水器不断把生成的水分出，反应3～4h后，取样测酸值，当酸值降低到6mg KOH/g以下时酯化反应完毕，再将料液打入中和釜，中和至酸值为4mgKOH/g。放掉碱液，再用双氧水脱色，冷却结晶，离心过滤后干燥，包装即得成品。

CH2OHCH2OH+C17H35COOHCH2OOCC17H35CH2OH+H2O

海关

海关编码	2915709000
中文概述	2915709000. 棕榈酸及其盐和酯、硬脂酸盐、酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 硬脂酸和软脂酸的含量
Summary	2915709000. palmitic acid and its salts and esters. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%