2,3,4,4a,5,6,7,8-八氢-4,4alpha-二甲基-6-(1-甲基乙烯基)-2-萘酚 | 53643-07-5

• 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
• 中文名称: 2,3,4,4a,5,6,7,8-八氢-4,4alpha-二甲基-6-(1-甲基乙烯基)-2-萘酚
• 英文名称: 2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol
• 英文别名: 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
• CAS: 53643-07-5
• 化学式: C₁₅H₂₄O
• 分子量: 220.35
• InChiKey: GFNWRKNVTHDNPV-UHFFFAOYSA-N

物化性质

• LogP：
  4.680 (est)
• 保留指数：
  1712

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• PROCEDE POUR LA PREPARATION DE LA NOOTKATONE
  申请人：FIRMENICH SA

  公开号：EP0810986A1

  公开（公告）日：1997-12-10
• PRODUCTION OF GLYCOSYLATED NOOTKATOL IN RECOMBINANT HOSTS
  申请人：Evolva SA

  公开号：EP3377642A1

  公开（公告）日：2018-09-26
• NOOTKATONE AS AN INSECTICIDE AND INSECT REPELLENT
  申请人：ALLYLIX, INC.

  公开号：US20150250166A1

  公开（公告）日：2015-09-10

  Pest control compositions and, in particular, pest repellent and pesticidal compositions containing nootkatone and/or a derivative or analog thereof, alone or combination with one or more active ingredients are provided. Methods of formulating and using the compositions are provided.
• FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS
  申请人：BEDOUKIAN RESEARCH, INC.

  公开号：US20180213773A1

  公开（公告）日：2018-08-02

  This disclosure relates to a method for the control or repellency of biting arthropods. The method comprises bringing the biting arthropods into contact with a biting arthropod repellent formulation. The biting arthropod repellent formulation comprises nootkatol separate from, or in combination, or in synergistic combination, with skin or plant derived compounds and compounds structurally similar to them (e.g., ketones, cyclic ketones, esters, gamma or delta lactones, and branched and/or unsaturated carboxylic acids), and/or one or more repellents selected from the group consisting of DEET®, para-menthane-3,8-diol (PMD), Picaridin, ethyl 3-[acetyl(butyl)amino]propanoate (IR3535), and other nitrogen-containing repellents including amines, amides, and nitrogen-containing heterocyclic compounds. This disclosure also relates to a biting arthropod repellent formulation comprising nootkatol separate from, or in combination, or in synergistic combination, with the skin or plant derived compounds and compounds structurally similar to them, and/or the one or more repellents.
• Production of Glycosylated Nootkatol in Recombinant Hosts
  申请人：Evolva SA

  公开号：US20180327723A1

  公开（公告）日：2018-11-15

  The invention relates to methods for producing glycosylated nootkatol. In particular, a recombinant host comprising a gene encoding a UDP-glycosyltransferase polypeptide capable of glycosylating nootkatol is disclosed. Glycosylation of nootkatol detoxifies nootkatol, allowing for greater production of (glycosylated-)nootkatol, a precursor of nootkatone, and therefore greater production of nootkatone. The invention also relates to methods of converting non-toxic, glycosylated nootkatol produced by a recombinant host to nootkatol, wherein the nootkatol can subsequently be converted to large quantities of nootkatone to be used in flavorings, perfumes, and/or insect repellents.