水芹醛 | 21391-98-0

• 物质功能分类: 香精与香料 - 合成香料
• 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
• 中文名称: 水芹醛
• 中文别名: 4-(1-甲基乙基)-1-环己烯-1-醛1-对薄荷烯-7-醛；水茴香醛
• 英文名称: phellandral
• 英文别名: p‐menth‐1‐en‐7‐al；4-(1-methylethyl)-1-cyclohexene-1-carboxaldehyde；4-isopropyl-1-cyclohexen-1-carboxaldehyde；p-menth-1-en-7-al；(+/-)-p-menth-1-en-7-al；p-menth-1-en-7-al；4-propan-2-ylcyclohexene-1-carbaldehyde
• CAS: 21391-98-0
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: AEVLWICMAHGAMS-UHFFFAOYSA-N

物化性质

• 沸点：
  223°C (estimate)
• 密度：
  0.9300
• LogP：
  3.168 (est)
• 保留指数：
  1249;1252;1249;1249;1250;1237;1251;1259;1271;1255.4;1239;1258;1252;1271
• 稳定性/保质期：
  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  水芹醛 在 air 作用下， 生成 4-isopropylcyclohex-1-en-7-oic acid
  参考文献：
  名称：

  Wallach, Justus Liebigs Annalen der Chemie, 1905, vol. 340, p. 11

  摘要：

  DOI：
• 作为产物：
  描述：

  薄荷-2-烯-1,7-二醇 在 硫酸 作用下， 生成 水芹醛
  参考文献：
  名称：

  Wallach, Justus Liebigs Annalen der Chemie, 1905, vol. 340, p. 11

  摘要：

  DOI：

文献信息

• TASTE MODULATOR AND METHOD OF USE THEREOF
  申请人：International Flavors & Fragrances Inc.

  公开号：US20150104398A1

  公开（公告）日：2015-04-16

  The present invention is directed to a novel taste-masking composition comprising a taste-masking effective amount of an Angelica root extract, which shows unexpected effectiveness in reducing an undesirable taste in a food product (e.g., a beverage, broth, or whole grain food product), a dental product, an oral hygiene product or a medicinal product.

  本发明涉及一种新型掩味组合物，包括一定量的Angelica根提取物，该提取物在减少食品产品（例如饮料、汤、全谷食品产品）、口腔产品、口腔卫生产品或药品中的不良味道方面表现出意想不到的有效性。
• Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose
  申请人：MAKScientific, LLC

  公开号：US20220033393A1

  公开（公告）日：2022-02-03

  The present invention relates to novel compounds that can act as antidotes for treating “Acute Cannabinoid Overdose” produced by classical cannabinoids such as Δ 9 -tetrahydrocannabinol (THC) and several synthetic psychoactive cannabinoids (SPCs). The cannabis constituent THC exerts its psychotropic effects via CB1 receptor activation and SPCs mimic the effects of THC with higher potency and severe neurotoxicity. Compounds disclosed in this invention, their enantiomers, diastereomers, geometric isomers, racemates, tautomers, rotamers, atropisomers, metabolites, N-oxides, salts, solvates, hydrates, isotopic variations and their polymorphic forms can be therapeutically useful in an emergency setting for counteracting the intoxicating effects of acute THC ingestion and SPC overdose. Also, aspects of the invention are concerned with pyrazoles, imidazoles, triazoles, thiazoles, oxazoles, dihydropyrazoles, pyrrolidinones, azetidines, oxyazetidines and azaspiro[3.3]heptanes with unique pharmacokinetic and pharmacodynamic properties for treating “Acute Cannabinoid Overdose”.

  本发明涉及一种新型化合物，可以作为治疗由经典大麻素（如Δ9-四氢大麻酚（THC））和几种合成精神活性大麻素（SPCs）产生的“急性大麻素过量”的解毒剂。大麻成分THC通过CB1受体激活发挥其精神活性作用，而SPCs则模拟THC的效果，具有更高的效力和严重的神经毒性。本发明披露的化合物及其对映体、二对映体、几何异构体、拉克酸盐、互变异构体、转型异构体、异构异构体、代谢物、N-氧化物、盐、溶剂合物、水合物、同位素变体及其多态形式在急诊情况下可以在对抗急性THC摄入和SPC过量的中毒作用方面具有治疗用途。此外，本发明涉及吡唑烷、咪唑烷、三唑烷、噻唑烷、噁唑烷、二氢吡唑烷、吡咯烷酮、氮杂环丁烷、氧杂环丁烷和氮杂螺[3.3]庚烷等具有独特药代动力学性能的化合物，用于治疗“急性大麻素过量”。
• POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES
  申请人：Berthier Damien

  公开号：US20100098649A1

  公开（公告）日：2010-04-22

  The present invention relates to the field of perfumery. More particularly, it concerns co-polymers, derived from a maleic anhydride derivative and a ethylenic derivative, comprising at least one β-oxy or β-thio carbonyl moiety capable of liberating an active molecule such as, for example, an α,β-unsaturated ketone, aldehyde or carboxylic ester. The present invention concerns also the use of polymers or co-polymers in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香料领域。更具体地，涉及由马来酸酐衍生物和乙烯衍生物组成的共聚物，其中包含至少一个β-氧或β-硫酰基团，能够释放出活性分子，例如α，β-不饱和酮，醛或羧酸酯。本发明还涉及在香料中使用聚合物或共聚物，以及包含本发明化合物的香料成分或香味物品。
• EXTERNAL PREPARATION CONTAINING ANALGESIC/ANTI-INFLAMMATORY AGENT
  申请人：Miura Seiji

  公开号：US20110319399A1

  公开（公告）日：2011-12-29

  An external preparation containing the following components (A) and (B): (A) a non-steroidal analgesic/anti-inflammatory agent, and (B) an organic amine. The external preparation of the present invention has improved skin permeation and excellent stability of a non-steroidal analgesic/anti-inflammatory agent in the external preparation. The external preparation of the present invention also has excellent appearance.

  一种外用制剂，包含以下成分(A)和(B)：(A)非甾体类镇痛/抗炎药物，以及(B)有机胺。本发明的外用制剂具有改善皮肤渗透性和非甾体类镇痛/抗炎药物在外用制剂中的优异稳定性。本发明的外用制剂还具有优异的外观。
• CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS
  申请人：Northeastern University

  公开号：US20160002195A1

  公开（公告）日：2016-01-07

  The present technology relates to novel cannabinergic nitrate esters and related analogs, process of preparation, pharmaceutical compositions and their methods of use as medicaments, pharmacological tools and/or biomarkers. The novel cannabinergic nitrate ester compounds provide medicaments useful in treating a variety of diseases and medical disorders.

  本技术涉及新型大麻素硝酸酯及其类似物、制备方法、制药组合物及其作为药物、药理工具和/或生物标志物的使用方法。这些新型大麻素硝酸酯化合物提供了治疗各种疾病和医学障碍的有用药物。

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