terpinol | 8006-39-1

• 物质功能分类: 香精与香料 - 合成香料 - 醇类香料
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: terpinol
• 英文别名: Terpin hydrate；4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate
• CAS: 8006-39-1
• 化学式: C₁₀H₂₀O₂*H₂O
• 分子量: 190.283
• InChiKey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N

物化性质

• 熔点：
  35-40 °C
• 沸点：
  213-218 °C(lit.)
• 密度：
  0.934 g/mL at 20 °C(lit.)
• 闪点：
  87℃ (Cleveland open test)
• 溶解度：
  Partially soluble in cold water

计算性质

• 辛醇/水分配系数(LogP)：
  0.87
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  41.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R38
• WGK Germany：
  1

制备方法与用途

化学性质

松油醇是一种无色的稠厚液体，具有紫丁香花的独特香气。其凝固点为37℃，沸点为219℃。该物质易溶于乙醇、丙酮、氯仿、乙醚和苯等有机溶剂，而不溶于水。根据研究，人经口摄入的半数致死量（LD50）约为3～4g/kg，大白鼠则为4.3g/kg。按照卫生标准，其每日允许摄入量（ADI）为1mg/kg。

用途

松油醇是我国批准使用的食用香料之一，主要用于柠檬、甜橙、草莓、桃等水果的香精中。在不同食品中的使用量有具体规定：口香糖40mg/kg；调味料38mg/kg；烘烤食品19mg/kg；冷饮16mg/kg；糖果14mg/kg；布丁类12~16mg/kg；软饮料5.4mg/kg。GB 2760—1996规定，松油醇可用于配制柠檬、白柠檬等柑橘类水果香精以及桃子、樱桃、树莓等香精。

生产方法

松油醇可以从松树干经干馏或水蒸气蒸馏后分馏获得。另一种合成方法是用23%的稀硫酸处理松节油，使其中的α-蒎烯生成-水合萜二醇，再与磷酸共热蒸馏而成。此外，1,8-萜二醇脱水也可以制备松油醇。

工业上通常以松节油或异戊二烯为原料来制备。一种常见的硫酸催化两步法包括：在30%的硫酸作用下，松节油中的蒎烯生成水合萜二醇结晶沉淀，分离后，在0.2%的硫酸催化下脱水生成松油醇，分层分离得粗醇，经减压蒸馏得成品。相转移催化法则可以提高反应效果：将33g松节油、50g 80%硫酸和0.1g三乙基苄基氯化铵(TEBA)加入烧瓶，在12~14℃下快速搅拌反应12h，得到白色粉末状萜二醇；然后在102～105℃搅拌反应4～5小时后，静置除去水层。油层用3%的氢氧化钠溶液中和、静置分层得黄色油状液体，减压蒸馏收集190~200℃(90kPa)馏分，得到精品。另一种方法是异戊二烯与丁烯酮缩合后与格氏试剂反应制得松油醇。还有一种磷酸催化一步法：在70℃下强烈搅拌反应16小时后，冷却静置，分离出水层和油层。油层用稀NaOH溶液中和至中性，再用少量食盐水洗涤、干燥后减压蒸馏得到成品。

分类

松油醇属于易燃液体，具有一定的毒性分级和急性毒性数据，以及刺激数据，并且在储存和运输时需要注意其可燃性和危险特性。具体的职业卫生标准包括STEL 5毫克/立方米。

反应信息

• 作为反应物：
  描述：

  terpinol 、 磷酸 生成 1,4-桉叶素
  参考文献：
  名称：

  MITCHELL, PETER W. D.

  摘要：

  DOI：

文献信息

• Thermal-Responsive Polymer Networks, Compositions, And Methods And Applications Related Thereto
  申请人：Song Jie

  公开号：US20100280561A1

  公开（公告）日：2010-11-04

  The invention relates to materials comprising polymer network containing siloxanes or organic-based core structures, preferably the materials have thermal-responsive properties. In some embodiments, the invention relates to an organic core functionalized with polymers. In another embodiment, organic core-polymer conjugates comprise polylactone segments. The organic core-polymer conjugates may be crosslinked together to form a material, and these materials may be functionalized with bioactive compounds so that the materials have desirable biocompatibility or bioactivity when used in medical devices. In some embodiments, the invention relates to silsesquioxane groups functionalized with polymers. In another embodiment, silsequioxane-polymer conjugates comprise polylactone segments. The silsequioxane-polymer conjugates may be crosslinked together to form a material, and these materials may be functionalized with bioactive compounds so that the materials have desirable biocompatibility or bioactivity when used in medical devices. In further embodiments, the invention relates to composite materials that contain a polymer matrix and aggregates, and in some embodiments, methods of making, and methods of using these materials. Preferably, the aggregates are calcium phosphate aggregates. Preferably, the material is resistant to fracture. In further embodiments, the materials are used in surgical procedures of bone replacement. In further embodiments, the materials contain polyhedral silsesquioxanes and/or biodegradable segments
• THERMAL-RESPONSIVE POLYMER NETWORKS, COMPOSITIONS, AND METHODS AND APPLICATIONS RELATED THERETO
  申请人：University of Massachusetts Medical School

  公开号：US20140357806A1

  公开（公告）日：2014-12-04

  The invention relates to materials comprising polymer network containing siloxanes or organic-based core structures, preferably the materials have thermal-responsive properties. In some embodiments, the invention relates to an organic core functionalized with polymers. In another embodiment, organic core-polymer conjugates comprise polylactone segments. The organic core-polymer conjugates may be crosslinked together to form a material, and these materials may be functionalized with bioactive compounds so that the materials have desirable biocompatibility or bioactivity when used in medical devices.
• US8597630B2
  申请人：——

  公开号：US8597630B2

  公开（公告）日：2013-12-03
• [EN] THERMAL-RESPONSIVE POLYMER NETWORKS, COMPOSITIONS, AND METHODS AND APPLICATIONS RELATED THERETO<br/>[FR] RÉSEAUX POLYMÈRES THERMORÉACTIFS, COMPOSITIONS, ET PROCÉDÉS ET APPLICATIONS ASSOCIÉS À CEUX-CI
  申请人：UNIV MASSACHUSETTS

  公开号：WO2011120002A1

  公开（公告）日：2011-09-29

  The invention relates to materials comprising polymer network containing organic-based core structures, preferably the materials have thermal-responsive properties. In some embodiments, the invention relates to an organic core functionalized with polymers. In another embodiment, organic core-polymer conjugates comprise polylactone segments. The organic core-polymer conjugates may be crosslinked together to form a material, and these materials may be functionalized with bioactive compounds so that the materials have desirable biocompatibility or bioactivity when used in medical devices. In further embodiments, the invention relates to composite materials that contain a polymer matrix and aggregates, and in some embodiments, methods of making, and methods of using these materials. Preferably, the material is resistant to fracture. In further embodiments, the materials are used in surgical procedures of bone replacement.

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