2051-31-2

• 常用中文名：4-癸醇
• 常用英文名：Decan-4-ol
• CAS号：2051-31-2
• 分子式：C₁₀H₂₂O
• 分子量：158.28100
• 相关类别： 化学试剂 有机试剂 脂肪醇
• 发布时间：2018-04-22 08:00:00
• 更新时间：2024-01-05 12:25:14
• 4-Decanol 是一种抗突变化合物,可以从芥菜叶中分离出来。4-Decanol 可抑制鼠伤寒沙门氏菌 TA100 中 $AFB_1$ 和 MNNG 的诱变活性。

名称

• 中文名: 4-正癸醇
• 英文名: 4-decanol
• 中文别名: 4-癸醇
• 英文别名: Hexylpropylcarbinol; EINECS 218-117-2; 1-Propylheptyl alcohol; Propyl-hexyl-carbinol; Decanol-4; Decane-4-ol; N-HEXYL-N-PROPYLCARBINOL; propylheptanol; decan-4-ol; MFCD00039627; Propyl-n-hexyl-carbinol; 4-Decyl Alcohol

物化性质

• 密度: 0.82
• 沸点: 210-211 °C
• 分子式: C₁₀H₂₂O
• 分子量: 158.28100
• 闪点: 82 °C
• 精确质量: 158.16700
• PSA: 20.23000
• LogP: 3.11780
• 外观性状: 透明无色液体
• 蒸汽压: 0.0365mmHg at 25°C
• 折射率: 1.431-1.433
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:7

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:71.3

  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:1

  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：液体

  2. 密度（g/mL,25ºC）：0.828

  3. 相对密度（20℃，4℃）：0.824

  4. 熔点（ºC）：-11.4

  5. 沸点（ºC）：210

  6. 相对密度（25℃，4℃）：0.820

  7. 折射率：1.431-1.433

  8. 闪点（°C）：82

  9. 常温折射率（n²⁰）：1.4334

  10. 常温折射率（n²⁵）：1.431

  11. 蒸气压（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 临界温度（ºC）：390.55

  14. 临界密度（g·cm^-3）：0.246

  15. 临界体积（cm³·mol^-1）：643

  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：难溶于水的

生物活性

• 描述: 4-Decanol 是一种抗突变化合物,可以从芥菜叶中分离出来。4-Decanol 可抑制鼠伤寒沙门氏菌 TA100 中 $AFB_1$ 和 MNNG 的诱变活性。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Mahmood, U., et al. (2004). Volatile constituents of Capillipedium parviflorum. Phytochemistry, 65(14), 2163–2166.

  [2]. Kim J O , et al.Antimutagenic effects of 4-decanol identified from mustard leaf. Applied Biological Chemistry, 1993, 36:424-427.

MSDS

Name: 4-Decanol 99% Material Safety Data Sheet Synonym: None CAS: 2051-31-2 Section 1 - Chemical Product MSDS Name:4-Decanol 99% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2051-31-2 4-Decanol 99 218-117-2 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. 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: 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: 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. Combustible liquid. Can form explosive mixtures at temperatures above the flashpoint. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use water spray to cool fire-exposed containers. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Use only in a well-ventilated area. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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# 2051-31-2: 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: 210 - 211 deg C @ 760.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 82 deg C ( 179.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8260g/cm3 Molecular Formula: C10H22O Molecular Weight: 158.28 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Mechanical shock, incompatible materials, ignition sources, excess heat, temperatures above 75C (167F). 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# 2051-31-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Decanol - 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# 2051-31-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2051-31-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2051-31-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): 36/37/38-20/21/22
• 安全声明 (欧洲): S24/25
• 海关编码: 2905199090

合成路线

海关

海关编码	2905199090
中文概述	2905199090. 其他饱和一元醇. 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, 包装
Summary	2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%