629-94-7

• 常用中文名：二十一烷
• 常用英文名：Heneicosane
• CAS号：629-94-7
• 分子式：C₂₁H₄₄
• 分子量：296.57400
• 相关类别： 有机原料 烃类化合物及其衍生物 无环烃
• 发布时间：2018-02-04 08:00:00
• 更新时间：2024-01-02 18:21:55
• Heneicosane 是从 Streptomyces philanthi RL-1-178 或 Serapias cordigera 中分离出来的一种香气成分。Heneicosane 是一种信息素,可抑制黄曲霉毒素的产生。

名称

• 中文名: 正二十一烷
• 英文名: henicosane
• 中文别名: 二十一烷
• 英文别名: EINECS 211-118-9; HENEICOSANE; n-Heneicosane; henicosan; UNII-I93S5U5DMP; MFCD00009346

物化性质

• 密度: 0,792 g/cm3
• 沸点: 100 °C2 mm Hg(lit.)
• 熔点: 39-41 °C(lit.)
• 分子式: C₂₁H₄₄
• 分子量: 296.57400
• 闪点: >230 °F
• 精确质量: 296.34400
• LogP: 8.43810
• 外观性状: 白色蜡质固体
• 蒸汽密度: 10.3 (vs air)
• 蒸汽压: <1 mm Hg ( 20 °C)
• 折射率: 1.442
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  1. 远离氧化物。

  2. 存在于烤烟烟叶、烟气中。

• 分子结构:

  1、 摩尔折射率：99.33

  2、 摩尔体积（cm³/mol）：375.1

  3、 等张比容（90.2K）：867.6

  4、 表面张力（dyne/cm）：28.6

  5、 介电常数（F/m）：2.08

  6、 极化率（10^-24cm³）：39.38

• 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:0

  4.可旋转化学键数量:18

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:143

  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：白色晶体。

  2. 密度（g/mL,25/4℃）：0.7919

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：39-41

  5. 沸点（ºC,常压）：356

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率_(n²⁰_D) ：1.4441

  8. 闪点（ºC）：＞110

  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（kPa,25ºC）：＜1.33

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（K）：504.85

  15. 临界压力（MPa）：1.03

  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：不溶于水。

生物活性

• 描述: Heneicosane 是从 Streptomyces philanthi RL-1-178 或 Serapias cordigera 中分离出来的一种香气成分。Heneicosane 是一种信息素,可抑制黄曲霉毒素的产生。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 真菌
• 参考文献:

  [1]. Colin F Funaro, et al. Identification of a queen and king recognition pheromone in the subterranean termite Reticulitermes flavipes. Proc Natl Acad Sci U S A. 2018 Apr 10;115(15):3888-3893.

  [2]. S Boukaew, et al. Efficacy of volatile compounds from Streptomyces philanthi RL-1-178 as a biofumigant for controlling growth and aflatoxin production of the two aflatoxin-producing fungi on stored soybean seeds. J Appl Microbiol. 2020 Sep;129(3):652-664.

  [3]. Maurizio D'Auria, et al. The composition of the aroma of Serapias orchids in Basilicata (Southern Italy). Nat Prod Res. 2020 Jan 20;1-5.

MSDS

Name: n-Heneicosane 98% Material Safety Data Sheet Synonym: None Known CAS: 629-94-7 Section 1 - Chemical Product MSDS Name:n-Heneicosane 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 629-94-7 n-Heneicosane 98% 211-118-9 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: 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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: Treat symptomatically and supportively. 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 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 629-94-7: 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: Crystals Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 100 deg C @ 2 mmHg Freezing/Melting Point: 40 - 41 deg C Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C21H44 Molecular Weight: 296.58 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 629-94-7 unlisted. LD50/LC50: Not available. Carcinogenicity: n-Heneicosane - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: 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# 629-94-7: No information available. Canada CAS# 629-94-7 is listed on Canada's DSL List. CAS# 629-94-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 629-94-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: 211-118-9

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