(E)-5-(2,3-dimethyltricyclo<2.2.1.0^2,6>heptyl)-2-methylpent-2-en-1-ol | 98718-51-5

• 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: (E)-5-(2,3-dimethyltricyclo<2.2.1.0^2,6>heptyl)-2-methylpent-2-en-1-ol
• 英文别名: 2-methyl-5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-penten-1-ol；trans-α-Santalol；α-Santalol；(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol
• CAS: 98718-51-5
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: PDEQKAVEYSOLJX-BJMVGYQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

ADMET

毒理性

• 副作用

神经毒素 - 其他中枢神经系统神经毒素 肾毒素 - 该化学物质在职业环境中可能对肾脏有毒。 皮肤致敏剂 - 可以诱导皮肤产生过敏反应的制剂。

Neurotoxin - Other CNS neurotoxin Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting. Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为产物：
  描述：

  (Z)-5-(dimethyltricyclo<2.2.1.0^2,6>hept-3-yl)-2-methylpent-2-enal 在 sodium tetrahydroborate 、 苯甲酸 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 30.0h， 生成 (E)-5-(2,3-dimethyltricyclo<2.2.1.0^2,6>heptyl)-2-methylpent-2-en-1-ol
  参考文献：
  名称：

  A shortcut to α-Santalol

  摘要：

  Alpha-Santalol (Z-3) can be prepared from the readily available 8-bromotricyclene in a one-flask procedure under perfect regio- and stereocontrol.

  DOI：

  10.1016/s0040-4039(00)73929-3

文献信息

• Novel norbornane and norbornene derivatives, use thereof and perfumed products containing same
  申请人：Mane Jean

  公开号：US20050004378A1

  公开（公告）日：2005-01-06

  The invention concerns a novel compounds of formula (I), wherein the dotted line bond is present or not, and wherein R 1 represents: when the dotted line bond is present —CHCH 3 OH or —CHCH 3 OCOR or —CHCH 3 XCH 2 CHOHR′ or —CHCH 3 OCHR′CH 2 OH or formula (II) when the dotted line bond is absent —CHCH 3 OH or —CHCH 3 OCOR or —COCH 3 or formula (II) or —CHCH 3 XCH 2 CHOHR′ or —CH 2 CH 2 XCH 2 CHOHR′ or —CHCH 3 OCHR′CH 2 OH or —CHCHCOR′ or —CH 2 CH 2 CHR′OH or —CH 2 CH 2 CHR′OCOR or CHCHCHOHR′ or —CHCHCHR′OCOR, wherein R represents H, Me, Et, Pr, isoPr, But, isoBut, CH 3 CH 2 ) 4 , (CH 3 ) 2 CHCH 2 , CH 2 CH, (CH3) 2 CCH, and R′ represents H, Me or Et, and X represents O, N or S, and their preparation method. Because of their fragrance, said compounds are highly interesting for the perfume industry, for cosmetic and care products.

  该发明涉及一种化合物的新颖结构，其化学式为（I），其中虚线键存在或不存在，且其中R1代表：当虚线键存在时为—CHCH3OH或—CHCH3OCOR或—CHCH3XCH2CHOHR′或—CHCH3OCHR′CH2OH或化学式（II）；当虚线键不存在时为—CHCH3OH或—CHCH3OCOR或—COCH3或化学式（II）或—CHCH3XCH2CHOHR′或—CH2CH2XCH2CHOHR′或—CHCH3OCHR′CH2OH或—CHCHCOR′或—CH2CH2CHR′OH或—CH2CH2CHR′OCOR或CHCHCHOHR′或—CHCHCHR′OCOR，其中R代表H、Me、Et、Pr、isoPr、But、isoBut、CH3CH2）4、（CH3）2CHCH2、CH2CH、（CH3）2CCH，R′代表H、Me或Et，X代表O、N或S，以及它们的制备方法。由于它们的香味，这些化合物对香水行业、化妆品和护理产品非常有趣。
• Pharmaceutical Compositions Comprising Capsaicin Esters for Treating Pain and Cold Sores
  申请人：Singh Chandra U.

  公开号：US20140134261A1

  公开（公告）日：2014-05-15

  The present invention relates to pharmaceutical compositions comprising ester(s) of capsaicin and at least one other agent selected from salicylates, menthol, boswellic acids, DMSO, methyl sulfonylmethane, NSAIDs, corticosteroids, emu oil, opioid agonists and antagonists, NMDA antagonists, tramadol, hyaluronic acid, α2δ ligands, santalol, santalyl acetate, amyris alcohol, amyris acetate, aloe vera gel and aloe vera juice, for improved therapeutic properties. Further, the present invention relates to pharmaceutical compositions comprising high concentrations of ester(s) of capsaicin. Further, the present invention relates to a method of relieving pain due to various diseases in subjects by administering the pharmaceutical compositions of the invention. Further, the present invention relates to methods of relieving fever blisters due to cold sores in subjects by administering the pharmaceutical compositions comprising an ester of capsaicin and one other agent selected from santalol, santalyl acetate, amyris alcohol and amyris acetate.

  本发明涉及含有辣椒素酯及至少一种来自水杨酸酯、薄荷脑、乳香酸、二甲基亚砜、甲基亚砜、非甾体抗炎药、皮质类固醇、鸸鹋油、阿片受体激动剂和拮抗剂、NMDA受体拮抗剂、曲马多、透明质酸、α2δ受体配体、檀香醇、檀香醋酸酯、白檀醇、白檀醋酸酯、芦荟凝胶和芦荟汁的药物组合物，用于改善治疗特性。此外，本发明涉及含有高浓度辣椒素酯的药物组合物。此外，本发明涉及通过给予本发明的药物组合物来减轻受试者因各种疾病而导致的疼痛的方法。此外，本发明涉及通过给予含有辣椒素酯及来自檀香醇、檀香醋酸酯、白檀醇和白檀醋酸酯中的一种的药物组合物来减轻受试者因感冒引起的发热疱疹的方法。
• Multi-compartment storage and delivery containers and delivery system for microencapsulated fragrances
  申请人：Troost Herman Erik

  公开号：US20060102656A1

  公开（公告）日：2006-05-18

  Described is a multiple (2-4)-compartment fluidic individually stable pre-storable composition storage and unstable mixture-forming and delivery container having separate compartments each communicating with a single mixing zone via an externally-located fluidic composition multiple delivery tube system juxtaposed with the outer surfaces of the compartment walls. These containers are well suited for storing and transporting compositions such as a cleaning agent composition, a personal care composition, an aqueous liquid detergent composition and/or a fabric softening composition and then promptly delivering the resulting unstable mixture to the desired location. The container has been advantageously found to deliver unstable mixtures which could include aqueous suspensions of microencapsulated fragrances or other ingredients.

  本发明涉及一种多（2-4）隔室流体单独稳定的可储存组合物储存容器和不稳定混合物形成和输送容器，其具有单独的隔室，每个隔室通过外部定位的流体组成物多重输送管系与隔室壁的外表面相邻，与单个混合区域相通。这些容器非常适合存储和运输诸如清洁剂组合物、个人护理组合物、水性液体洗涤剂组合物和/或柔顺剂组合物等组合物，然后迅速将产生的不稳定混合物输送到所需位置。有利地发现，该容器可输送包括微囊化香料或其他成分的水性悬浮液等不稳定混合物。
• Skin and hair treatment composition and process for using same resulting in controllably-releasable fragrance and/or malodour counteractant evolution
  申请人：Winton Brooks Dee Clint

  公开号：US20050226900A1

  公开（公告）日：2005-10-13

  Described is a human epidermal and/or human hair treatment composition of (i) fragrance and/or malodour counteractant and (ii) fragrance- and/or malodour counteractant-compatible solvent-containing microcapsules provided in a suspension gel or emulsion. Also described is a method for delivery of fragrance and beneficial agents to the human epidermal surface area region treatment and/or human hair treatment wherein the microcapsules remain on the human epidermis and/or on the hair follicles for a substantial period of time subsequent to their application and the microcapsules are ruptured over a period of time, thereby effecting both an initial delivery of fragrance and beneficial agent subsequent to rubbing, and, in addition, a controlled release of fragrance and beneficial agents into to the treated human epidermis and/or hair follicles.

  本发明涉及一种人类表皮和/或人类头发处理组合物，其包括（i）香味和/或恶臭对抗剂和（ii）包含香味和/或恶臭对抗剂兼容的溶剂的微囊，所述微囊以悬浮凝胶或乳液形式提供。本发明还涉及一种将香味和有益成分传递到人类表皮表面区域处理和/或人类头发处理的方法，其中微囊在其应用后在人类表皮和/或毛囊上保持相当长的时间，并且微囊在一段时间内破裂，从而在摩擦后实现香味和有益成分的初始传递，并且还实现对处理的人类表皮和/或毛囊的香味和有益成分的控制释放。
• Stable fragrance microcapsule suspension and process for using same
  申请人：Lee Kaiping

  公开号：US20050227907A1

  公开（公告）日：2005-10-13

  Described is a stable initial impact and continuous impact fragrance and/or benefit agent-imparting aqueous suspension of microencapsulated fragrance and/or benefit agent, e.g., malodour counteractant suspended in a non-confined fragrance-containing and/or benefit agent-containing liquid phase oil-in-water emulsion. On storage, the viscosity of the suspension undergoes a minimal increase over an extended period of time thereby avoiding undesirable agitation resistance during the blending of the suspension with other materials. The suspension is thus useful for imparting a benefit or an aroma to a consumable material such as a liquid anionic, cationic, non-ionic or zwitterionic detergent, a shampoo, a bodywash, liquid soaps, hair conditioners, skin lotions, anti-perspirants, deodorants or liquid fabric softener and/or conditioner compositions. Also described is a process for preparing such stable suspensions and apparatus for carrying out such process.

  本发明涉及一种稳定的初始冲击和连续冲击香气和/或效益剂-传递微囊化香气和/或效益剂的水悬浮液，例如，恶臭对抗剂悬浮在非限制香气含量和/或效益剂含量的液相油包水乳化液中。在储存过程中，悬浮液的粘度在长时间内仅略微增加，从而避免了在将悬浮液与其他材料混合时产生不良的搅拌阻力。因此，该悬浮液可用于向可消费材料（例如液体阴离子、阳离子、非离子或双性洗涤剂、洗发水、沐浴露、液体肥皂、护发素、皮肤乳液、止汗剂、除臭剂或液体柔顺剂和/或调理剂组成）传递效益或香气。还描述了一种制备这种稳定悬浮液的方法和用于执行这种方法的设备。