515-00-4

• 常用中文名：桃金娘烯醇
• 常用英文名：(±)-Myrtenol
• CAS号：515-00-4
• 分子式：C₁₀H₁₆O
• 分子量：152.233
• 相关类别： 原料药 呼吸系统用药 祛痰药
• 发布时间：2018-02-24 08:00:00
• 更新时间：2024-01-01 19:54:26
• 桃金娘烯醇存在于精油中。桃金娘烯醇能抑制粘液分泌,减少粘液沉积,改变粘液的粘弹性,有很好的祛痰作用,可治疗呼吸道疾病,是一种重要的医药原料。桃金娘烯醇是一种具有广泛用途的香料,而且还是一种重要的精细化工中间体,可以进一步合成一系列更高价值的香料,如紫苏醛、紫苏葶等。桃金娘烯醇是一种重要的双环单萜烯醇,具有檀木香和清凉薄荷香,且香气柔和。作为食用香料,桃金娘烯醇可用于可乐、薰衣草和柑橘型等香型的香精中,是优良的和合剂与修饰剂；桃金娘烯醇还可用做杀虫剂。其乙酸酯具有愉快而清新的草香,可与迷迭香、香紫苏、薰衣草等精油很好和合。以桃金娘烯醇为主要成分的标准桃金娘油,有着突出的净化功能,温和不刺激,杀菌效果明显,具有良好的收敛效果,经常被添加于皮肤保养产品。医药工业上,桃金娘烯醇适用于急、慢性鼻炎及鼻窦炎,急、慢性气管炎和支气管炎以及鼻功能手术的术后治疗、支气管扩张、慢性阻塞性。作为反应中间体,桃娘烯醇可用来合成桃金娘烯醛、紫苏醇、紫苏醛和紫苏葶等精细化学品。

名称

• 中文名: 桃金娘烯醇
• 英文名: (-)-myrtenol, 97
• 英文别名: (6,6-Dimethyl-bicyclo[3.1.1]hept-2-en-2-yl)-methanol; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-; (±)-Myrtenol; MFCD00016364; (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol; a-Pinene-10-ol; EINECS 208-187-2

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 224.8±9.0 °C at 760 mmHg
• 分子式: C₁₀H₁₆O
• 分子量: 152.233
• 闪点: 89.4±0.0 °C
• 精确质量: 152.120117
• PSA: 20.23000
• LogP: 3.22
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.504
• 储存条件:

  储存于阴凉、干燥、通风良好的库房。远离火种、热源。防止阳光直射。包装密封。应与酸类、食用化学品分开存放，切忌混储。储区应备有合适的材料收容泄漏物。

• 稳定性:

  1. 按规格使用和贮存，不会发生分解，避免与氧化物接触。

  2. 存在于烤烟烟叶中。

  3. 以游离态和乙酸酯的形式存在于桉树油和桃金娘油中。

• 分子结构:

  1、 摩尔折射率：45.48

  2、 摩尔体积（cm³/mol）：153.4

  3、 等张比容（90.2K）：364.5

  4、 表面张力（dyne/cm）：31.8

  5、 极化率（10^-24cm³）：18.03

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  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:1

  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:203

  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:2

  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：无色液体，有木香、草香、和辛香香气。

  2. 密度（g/ cm³,20/4℃）：0.978

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：221-224

  6. 沸点（ºC,8kPa）：未确定

  7. 折射率_(n²⁰_D) ：1.456

  8. 闪点（ºC）：89.4

  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）：未确定

  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（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：不溶于水

MSDS

Name: (-)-Myrtenol 97+% Material Safety Data Sheet Synonym: (-)-Pin-2-ene-10-ol; Bicyclo[3.1.1]hept-2-ene-, 6,6-dimethyl-2-(hydroxymethyl)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl- CAS: 515-00-4 Section 1 - Chemical Product MSDS Name:(-)-Myrtenol 97+% Material Safety Data Sheet Synonym:(-)-Pin-2-ene-10-ol; Bicyclo[3.1.1]hept-2-ene-, 6,6-dimethyl-2-(hydroxymethyl)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 515-00-4 (-)-Myrtenol >97 208-193-5 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. May cause chemical conjunctivitis and corneal damage. Skin: May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: 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. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. 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. Combustible liquid and vapor. Extinguishing Media: Use water spray to cool fire-exposed containers. Water may be ineffective. 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Keep away from heat and flame. Storage: Keep away from sources of ignition. 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 515-00-4: 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: clear, colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: viscous Boiling Point: 221 - 222 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: 89 deg C ( 192.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: .9820 g/cm3 Molecular Formula: C10H16O Molecular Weight: 152.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 515-00-4 unlisted. LD50/LC50: Not available. Carcinogenicity: (-)-Myrtenol - 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# 515-00-4: No information available. Canada CAS# 515-00-4 is listed on Canada's DSL List. CAS# 515-00-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 515-00-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn
• 安全声明 (欧洲): S24/25
• 海关编码: 2906199090

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制备

1. 烟草：FC，18。

2. 将β-蒎烯氯化、成酯、水解制取桃金娘烯醇

3. 将β-蒎烯先经光敏氧化，生成相应的氢过氧化物，再还原得到

4. 将β-蒎烯环氧化反应，再异构化，是合成桃金娘烯醇的通用方法

海关

海关编码	2906199090
中文概述	2906199090. 其他环烷醇，环烯醇及环萜烯醇. 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
Summary	2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%