111-82-0

• 常用中文名：月桂酸甲酯
• 常用英文名：Methyl laurate
• CAS号：111-82-0
• 分子式：C₁₃H₂₆O₂
• 分子量：214.344
• 相关类别： 化学试剂 有机试剂 酯类 甲酯类化合物
• 发布时间：2018-03-31 08:00:00
• 更新时间：2024-01-02 08:44:32
• 月桂酸甲酯是一种12碳饱和脂肪酸,是月桂酸的酯化版本[1]。

名称

• 中文名: 月桂酸甲酯
• 英文名: methyl laurate
• 中文别名: 十二酸甲酯; 十二酸
• 英文别名: EINECS 203-911-3; Lauric acid methyl ester,Methyl dodecanoate; Lauric acid methyl ester; Methyl laurate; Dodecanoic acid, methyl ester; Dodecanoic acid methyl ester; Lauric acid, methyl ester; Methyl n-dodecanoate; 11VO1; MFCD00008966; Methyldodecanoate; methyl dodecanoate; Methyl dodecylate

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 263.0±3.0 °C at 760 mmHg
• 熔点: 4-5 °C(lit.)
• 分子式: C₁₃H₂₆O₂
• 分子量: 214.344
• 闪点: 114.6±6.9 °C
• 精确质量: 214.193283
• PSA: 26.30000
• LogP: 5.49
• 外观性状: 透明液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.433
• 储存条件:

  以镀锌桶包装。贮存于阴凉、干燥处。远离火种和热源。

• 稳定性:

  1. 禁止与强氧化剂接触。

  2. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶中。

• 分子结构:

  1、 摩尔折射率：64.05

  2、 摩尔体积（cm³/mol）：246.6

  3、 等张比容（90.2K）：574.0

  4、 表面张力（dyne/cm）：29.3

  5、 极化率（10^-24cm³）：25.39

• 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:2

  4.可旋转化学键数量:11

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:144

  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：无色油状液体

  2.密度（g/mL,35℃）：0.8702

  3.相对密度：0.8702（20℃）

  4.熔点（ºC）：4.5~5

  5.沸点（ºC,102kpa）：267

  6.沸点（ºC,2.0kpa）：141

  7. 溶解性：能与乙醇、乙醚、苯、丙酮混溶，不溶于水。

  8.常温折射率（n²⁰）：1.4319

  9.常温折射率（n²⁵）：1.4220

  10. 溶度参数(J·cm^-3)^0.5：18.867

  11. van der Waals面积（cm²·mol^-1）：1.994×10¹⁰

  12. van der Waals体积（cm³·mol^-1）：144.840

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：438.85

  15. 气相标准燃烧热(焓)(kJ·mol^-1)：-8215.54

  16. 气相标准声称热(焓)( kJ·mol^-1) ：-5615.88

  17. 液相标准燃烧热(焓)(kJ·mol^-1)：-8138.38

  18. 液相标准声称热(焓)( kJ·mol^-1)：-693.04

  19. 闪点（ºC）：＞109

生物活性

• 描述: 月桂酸甲酯是一种12碳饱和脂肪酸,是月桂酸的酯化版本[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. YongWang, et al. Comparison of two different processes to synthesize biodiesel by waste cooking oil. Journal of Molecular Catalysis A: Chemical. Volume 252, Issues 1–2, 1 June 2006, Pages 107-112

MSDS

Name: Methyl laurate 96% Material Safety Data Sheet Synonym: Methyl dodecanoate; Lauric acid methyl este CAS: 111-82-0 Section 1 - Chemical Product MSDS Name:Methyl laurate 96% Material Safety Data Sheet Synonym:Methyl dodecanoate; Lauric acid methyl este Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 111-82-0 METHYL LAURATE 96% 203-911-3 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. 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 if irritation develops or persists. Flush skin with plenty of soap and water. 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. Get medical aid if cough or other symptoms appear. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. 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# 111-82-0: 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: clear, colorless Odor: Oil,winey,fatty odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 262 deg C @ 766.00mm Hg Freezing/Melting Point: 4.8 deg C Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: .8700g/cm3 Molecular Formula: C13H26O2 Molecular Weight: 214.35 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents - strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 111-82-0: OF0670000 LD50/LC50: Not available. Carcinogenicity: METHYL LAURATE - Not listed by ACGIH, IARC, or NTP. Other: 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 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# 111-82-0: 1 Canada CAS# 111-82-0 is listed on Canada's DSL List. CAS# 111-82-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 111-82-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对水体没有危害。 CHEMICAL IDENTIFICATION RTECS NUMBER : OF0670000 CHEMICAL NAME : Lauric acid, methyl ester CAS REGISTRY NUMBER : 111-82-0 BEILSTEIN REFERENCE NO. : 1767780 LAST UPDATED : 199710 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C13-H26-O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 48 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RESJAS Journal of the Reticuloendothelial Society. (1964) (Res: Journal of the Reticuloendothelial Society, New York) V.1(1)-14(6), 1964-73. Volume(issue)/page/year: 3,250,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3860 No. of Facilities: 129 (estimated) No. of Industries: 4 No. of Occupations: 11 No. of Employees: 2692 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3860 No. of Facilities: 1543 (estimated) No. of Industries: 22 No. of Occupations: 23 No. of Employees: 34131 (estimated) No. of Female Employees: 75 (estimated)

安全

• 符号: GHS09
• 信号词: Warning
• 危害声明: H410
• 警示性声明: P273
• 个人防护装备: Eyeshields;Gloves
• 危害码 (欧洲): N
• 风险声明 (欧洲): 50
• 安全声明 (欧洲): S24/25
• 危险品运输编码: UN 3082 9 / PGIII
• WGK德国: 1
• RTECS号: OF0670000

合成路线

上下游产品

上游产品  7
67-56-1 32604-48-1 7143-18-2 4117-09-3
929-33-9 917-54-4 106-33-2
下游产品  10
505-95-3 71655-36-2 693-23-2 3903-40-0
53005-24-6 693-57-2 2009-59-8 3179-80-4
593-08-8 112-40-3

制备

1.由月桂酸与甲醇酯化而得。将月桂酸、无水甲醇和浓硫酸的混合物加热回流18h，将反应倒入水中，分出酯层。依次用水、饱和碳酸氢钠溶液和水洗涤。经干燥后进行蒸馏，收集261-263℃馏分，即为十二酸甲酯，收率81%。

2. 烟草：BU，56；OR，26；FC，18， 40。