14049-11-7

• 常用中文名：2,2,6-三甲基-6-乙烯基四氢吡喃-3-醇(异构体的混和物)
• 常用英文名：linalool oxide (pyranoid)
• CAS号：14049-11-7
• 分子式：C₁₀H₁₈O₂
• 分子量：170.24900
• 发布时间：2019-01-16 08:20:33
• 更新时间：2024-01-03 18:57:29

名称

• 中文名: 2,2,6-三甲基-6-乙烯基四氢-2H-呋喃-3-醇
• 英文名: 2,2,6-trimethyl-6-vinyltetrahydro-2h-pyran-3-ol
• 中文别名: 3-羟基-2,2,6-三甲基-6-乙烯基四氢吡喃; 2,2,6-三甲基-6-乙烯基四氢吡喃-3-醇(异构体的混和物); 2,2,6-三甲基-6-乙烯基四氢-2H-吡喃-3-醇; 2,2,6-三甲基-6-乙烯基四氢吡喃-3-醇
• 英文别名: 6-ethenyl-2,2,6-trimethyl-3-hydroxytetrahydropyran; 2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol; 2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-vinyl; cis-linalool oxide; Epoxylinalol; 2,2,6-Trimethyl-6-vinyltetranhydro-2H-pyran-3-ol; 3-hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran; 2,2,6-trimethyl-6-vinyl-tetrahydro-2H-pyran-3-ol; tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol; Pyranoid-linalool oxide; 2,2,6,6-TETRAMETHYL-4-PIPERIDINOL; EINECS 237-889-1; linalool oxide pyranoside; 2H-Pyran-3-ol,6-ethenyltetrahydro-2,2,6-trimethyl; 2,2,6-trimethyl-6-ethenyltetrahydro-2H-pyran-3-ol

物化性质

• 密度: 0.988g/cm3
• 沸点: 224.2ºC at 760mmHg
• 分子式: C₁₀H₁₈O₂
• 分子量: 170.24900
• 闪点: 76.5ºC
• 精确质量: 170.13100
• PSA: 29.46000
• LogP: 1.88100
• 外观性状: 无色-几乎无色透明液体
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：50.96

  2、 摩尔体积（m³/mol）：172.1

  3、 等张比容（90.2K）：413.0

  4、 表面张力（dyne/cm）：33.1

  5、 极化率（10^-24cm³）：20.20

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:1

  3.氢键受体数量:2

  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29.5

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:186

  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：未确定

  2. 密度（g/mL,25/4℃）：未确定

  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）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol (mixture of isomers) Portland OR 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl- Synonym (CA INDEX NAME); Linalool Oxide Pyranoid; 3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran Chemical FormulaC10H18O2 CAS Number14049-11-7 Section II.Composition and Information on Ingredients CAS Number Percent (%)TLV/PELToxicology Data Chemical Name 2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol14049-11-7 Min. 98.0 (GC) Not available.Not available. (mixture of isomers) Section III. Hazards Identification Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or Inhalation waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Ingestion Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V.Fire and Explosion Data Not available. May be combustible at high temperature.Auto-Ignition Flammability Flash PointsFlammable LimitsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page 2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol (mixture of isomers) Section VI.Accidental Release Measures Spill CleanupIrritating material. Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing Instructions any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageIRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective Engineering Controls threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a Personal Protection specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Liquid. (Clear, colorless ~ light yellow.)Solubility Physical state @ 20°CNot available. Not available. Specific Gravity 170.25 Molecular WeightPartition CoefficientNot available. Boiling Point98°C (208.4°F) @ 10 mmHgVapor PressureNot available. Not available.Not available. Melting PointVapor Density Not available.VolatilityNot available. Refractive Index Not available. Critical TemperatureNot available.Odor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information Not available. RTECS Number Routes of ExposureEye Contact. Ingestion. Inhalation. Not available. Toxicity Data Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information Not available. Ecotoxicity Environmental FateNot available. Continued on Next Page 2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol (mixture of isomers) Section XIII.Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping NameNot applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list. (EPA) WHMIS ClassificationOn DSL. (Canada) EINECS Number (EEC) 237-889-1 EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn
• 海关编码: 2932999099

合成路线

78-70-6 ~27% 15249-35-1 14049-11-7 861071-75-2

文献：Matich, Adam J.; Young, Harry; Allen, John M.; Wang, Mindy Y.; Fielder, Simon; McNeilage, Mark A.; MacRae, Elspeth A. Phytochemistry, 2003 , vol. 63, # 3 p. 285 - 301

78-70-6 ~21% 60047-17-8 14049-11-7

文献：Corma, A.; Iglesias, M.; Sanchez, F. Journal of the Chemical Society, Chemical Communications, 1995 , # 16 p. 1635 - 1636

67674-42-4 ~99% 14049-11-7

文献：Dembitskii, A. D.; Krotova, G. I.; Suleeva, R.; Yurina, R. A. Chemistry of Natural Compounds, 1985 , vol. 21, # 3 p. 310 - 312 Khimiya Prirodnykh Soedinenii, 1985 , vol. 21, # 3 p. 332 - 335

78-70-6 ~% 15249-35-1 60047-17-8 14049-11-7

文献：Santos, Isabel C.M.S.; Balula, Salete S.; Simoes, Mario M.Q.; Cunha-Silva, Luis; Neves, M. Graca P.M.S.; De Castro, Baltazar; Cavaleiro, Ana M.V.; Cavaleiro, Jose A.S. Catalysis Today, 2013 , vol. 203, p. 87 - 94

78-70-6 ~% 60047-17-8 14049-11-7 861071-75-2

文献：Santos, Isabel C.M.S.; Balula, Salete S.; Simoes, Mario M.Q.; Cunha-Silva, Luis; Neves, M. Graca P.M.S.; De Castro, Baltazar; Cavaleiro, Ana M.V.; Cavaleiro, Jose A.S. Catalysis Today, 2013 , vol. 203, p. 87 - 94

78-70-6 ~% 14049-11-7 4031-48-5 4031-48-5

文献：Tang, Rong; Webster, Francis X.; Mueller-Schwarze, Dietland Journal of Chemical Ecology, 1995 , vol. 21, # 11 p. 1745 - 1762

78-70-6 ~% 60047-17-8 14049-11-7 106-25-2

文献：Schofield, Lee J.; Kerton, Owain J.; McMorn, Paul; Bethell, Donald; Ellwood, Simon; Hutchings, Graham J. Journal of the Chemical Society, Perkin Transactions 2, 2002 , # 8 p. 1475 - 1481

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海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%