28219-61-6

• 常用中文名：2-亚龙脑烯基丁醇
• 常用英文名：Sandacanol
• CAS号：28219-61-6
• 分子式：C₁₄H₂₄O
• 分子量：208.340
• 相关类别： 香精与香料 合成香料 醇类香料 脂环醇
• 发布时间：2018-07-01 22:36:12
• 更新时间：2025-08-24 16:48:45
• Sandacanol 是嗅觉受体 (OR10H1) 的特异性激动剂。Sandacanol 诱导膀胱癌细胞发生细胞周期停滞和凋亡 (apoptosis)。

名称

• 中文名: 2-亚龙脑烯基丁醇
• 英文名: 2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol
• 中文别名: 檀香
• 英文别名: Levosandol; BAGDANOL; MFCD00067059; Bacdanol; Sandolen; Sandal fleur; Bacdanol [IFF]; Sandacanol; Balinol; Sandranol [Dragoco]; 2-Buten-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (2E)-; Sandrolene; EINECS 248-908-8; 2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol; Bangalol; SANDENOL 208; Sandolene; 2-Buten-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-; SANDEROL 208; (2E)-2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol; Sandalrome

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 287.4±9.0 °C at 760 mmHg
• 分子式: C₁₄H₂₄O
• 分子量: 208.340
• 闪点: 103.5±15.0 °C
• 精确质量: 208.182709
• PSA: 20.23000
• LogP: 4.97
• 外观性状: 透明无色至淡黄色液体
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.478
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

  无色至浅黄色油状液体。减压浓郁的天然檀香香气。透气性强，且留香持久。

• 水溶解性: INSOLUBLE
• 分子结构:

  1、 摩尔折射率：65.98

  2、 摩尔体积（cm³/mol）：232.9

  3、 等张比容（90.2K）：540.2

  4、 表面张力（dyne/cm）：28.9

  5、 极化率（10^-24cm³）：26.15

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：0

  3、 氢键受体数量：

  4、 可旋转化学键数量：0

  5、 拓扑分子极性表面积（TPSA）：

  6、 重原子数量：

  7、 表面电荷：0

  8、 复杂度：

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：黄色粉末

  2. 密度（g/mL,25/4℃）：0.91

  3. 相对蒸汽密度（g/mL,空气=1）：7.18

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：114-116

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.486-1.488

  8. 闪点（ºC）：>93

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：不溶于水

生物活性

• 描述: Sandacanol 是嗅觉受体 (OR10H1) 的特异性激动剂。Sandacanol 诱导膀胱癌细胞发生细胞周期停滞和凋亡 (apoptosis)。
• 相关类别:
  信号通路 >> 细胞凋亡 >> 细胞凋亡
  研究领域 >> 癌症
• 体外研究: 山达卡醇(50、100、300、500和700μM；24或48小时)治疗显著降低了BFTC905膀胱癌细胞的细胞活力、细胞增殖和迁移,并诱导有限程度的凋亡[1]。
• 参考文献:

  [1]. Lea Weber, et al. Characterization of the Olfactory Receptor OR10H1 in Human Urinary Bladder Cancer. Front Physiol. 2018 May 16;9:456.

MSDS

Name: 2-Ethyl-4-(2 2 3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol mixture Material Safety Data Sheet Synonym: 2-But-2-en-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3- cyclopenten-1-yl) CAS: 28219-61-6 Section 1 - Chemical Product MSDS Name:2-Ethyl-4-(2 2 3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol mixture Material Safety Data Sheet Synonym:2-But-2-en-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3- cyclopenten-1-yl) Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28219-61-6 2-Ethyl-4-(2,2,3-trimethylcyclopent-3- 96 248-908-8 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. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: This material is lighter than water and insoluble in water. The fire could easily be spread by the use of water in an area where the water cannot be contained. Use agent most appropriate to extinguish fire. Use 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. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. 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# 28219-61-6: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Clear liquid Color: colorless to pale yellow Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 114 - 116 deg C @ 1mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: > 100 deg C (> 212.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Insoluble. Specific Gravity/Density: .9160g/cm3 Molecular Formula: C14H24O Molecular Weight: 208.1674 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. 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# 28219-61-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol - 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. WGK (Water Danger/Protection) CAS# 28219-61-6: No information available. Canada CAS# 28219-61-6 is listed on Canada's DSL List. CAS# 28219-61-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28219-61-6 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

• 安全声明 (欧洲): S24/25
• 海关编码: 3307410000

制备

α-蒎烯为原料经过乙酸环氧化生成环氧蒎烷，路易士酸作用，异构化生成龙脑烯醛，经碱催化与丁醛进行羟醛缩合，催化氢化，转化为所需产物。产品质量：含量≥90%。

海关

海关编码	3307410000