536-59-4

• 常用中文名：L-紫苏醇
• 常用英文名：UNII:319R5C7293
• CAS号：536-59-4
• 分子式：C₁₀H₁₆O
• 分子量：152.233
• 相关类别： 化学试剂 有机试剂 脂肪醇
• 发布时间：2018-10-02 13:03:43
• 更新时间：2024-01-02 18:07:39
• Perillyl alcohol 是一种单萜,从薰衣草,薄荷,樱桃等植物精油中分离出来。Perillyl alcohol 可在不影响正常细胞的情况下诱导肿瘤细胞凋亡 (apoptosis)。

名称

• 中文名: 紫苏醇
• 英文名: perillyl alcohol
• 中文别名: 1-羟甲基-4-异丙烯基-1-环己烯; 4-(1-甲基乙烯基)-1-环己烯-1-甲醇
• 英文别名: tri-otolylboroxine; UNII:319R5C7293; Perilla alcohol; [4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; (-)-PERILLYL ALCOHOL; perill alcohol; (4-(prop-1-en-2-yl)cyclohex-1-enyl)methanol; (S)-p-Mentha-1,8-dien-7-ol,(S)-4-Isopropenyl-1-cyclohexenylmethanol; MFCD00062995; [4-(1-Methylethenyl)-1-cyclohexen-1-yl]methanol; 1,8-p-Menthadien-7-ol; p-Mentha-1,8-dien-7-ol; Perillol; (4-(prop-1-en-2-yl)cyclohex-1-enyl)carbinol; p-Mentha-1,8-diene-7-ol; DIHYDRO CUMINYL ALCOHOL; (4-isopropenyl-cyclohex-1-enyl)-methanol; Perillic alcohol; (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol; L-(-)-Perilly Alcohol; 1-perillalcohol; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); L6UTJ A1Q DY1&U1; Perillyl alcohol; (4-Isopropenyl-1-cyclohexen-1-yl)methanol; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-; perilla

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 241.2±19.0 °C at 760 mmHg
• 分子式: C₁₀H₁₆O
• 分子量: 152.233
• 闪点: 99.6±17.8 °C
• 精确质量: 152.120117
• PSA: 20.23000
• LogP: 3.30
• 外观性状: 透明无色至淡黄色液体
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.491
• 储存条件: 室温
• 稳定性:

  1. 存在于主流烟气中。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.1

  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：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：20.2

  7、 重原子数量：11

  8、 表面电荷：0

  9、 复杂度：179

  10、同位素原子数量：0

  11、确定原子立构中心数量：1

  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：未确定

  2. 密度（g/mL,20℃）：0.969

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：244

  6. 沸点（ºC,11mmHg）：119-121

  7. 折射率(n20/D)：1.501（lit.）

  8. 闪点（ºF）：＞230

  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,25 ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：未确定

生物活性

• 描述: Perillyl alcohol 是一种单萜,从薰衣草,薄荷,樱桃等植物精油中分离出来。Perillyl alcohol 可在不影响正常细胞的情况下诱导肿瘤细胞凋亡 (apoptosis)。
• 相关类别:
  信号通路 >> 细胞凋亡 >> 细胞凋亡
  研究领域 >> 癌症
• 参考文献:

  [1]. Belanger JT. Perillyl alcohol: applications in oncology. Altern Med Rev. 1998 Dec;3(6):448-57.

MSDS

Name: L(-)-Perillyl Alcohol 85% Material Safety Data Sheet Synonym: Dihydrocuminyl Alcohol; 4-Isopropenyl-Cyclohex-1-Ene-1-Methanol; Perilla Alcohol CAS: 536-59-4 Section 1 - Chemical Product MSDS Name:L(-)-Perillyl Alcohol 85% Material Safety Data Sheet Synonym:Dihydrocuminyl Alcohol; 4-Isopropenyl-Cyclohex-1-Ene-1-Methanol; Perilla Alcohol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 536-59-4 L(-)-Perillyl Alcohol 85 208-639-9 Hazard Symbols: XI Risk Phrases: 36/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: May cause respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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 immediately. Skin: Get medical aid immediately. Immediately 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: 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: 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. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 536-59-4: 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 minimize contact with skin. 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: Liquid Color: clear, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 119 - 121 deg C @ 11.00mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .9600g/cm3 Molecular Formula: C10H16O Molecular Weight: 152.24 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, excess heat, strong oxidants. 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# 536-59-4: OS8395000 LD50/LC50: CAS# 536-59-4: Draize test, rabbit, skin: 500 mg/24H Severe; Oral, rat: LD50 = 2100 mg/kg; Skin, rabbit: LD50 = >5 gm/kg. Carcinogenicity: L(-)-Perillyl Alcohol - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/38 Irritating to eyes and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 536-59-4: No information available. Canada CAS# 536-59-4 is listed on Canada's DSL List. CAS# 536-59-4 is listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 536-59-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性 标准的Draize试验：兔子，皮肤接触：500mg/24H；反应的严重程度：严重。 2、急性毒性：大鼠经口LD50：2100mg/kg；兔子经皮肤接触LD50：>5mg/kg。 CHEMICAL IDENTIFICATION RTECS NUMBER : OS8395000 CHEMICAL NAME : p-Mentha-1,8-dien-7-ol CAS REGISTRY NUMBER : 536-59-4 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C10-H16-O MOLECULAR WEIGHT : 152.26 WISWESSER LINE NOTATION : L6UTJ A1Q DY1&U1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,253,1981 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,253,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,253,1981

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 37/38-41
• 安全声明 (欧洲): S26;S39
• WGK德国: 3
• RTECS号: OS8395000
• 海关编码: 2906199090

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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%