isobornyl propionate | 20279-25-8

• 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: isobornyl propionate
• 英文别名: propionic acid isobornyl ester；Propionsaeure-isobornylester；Propionsaeure-bornylester；(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
• CAS: 20279-25-8
• 化学式: C₁₃H₂₂O₂
• 分子量: 210.316
• InChiKey: FAFMZORPAAGQFV-UHFFFAOYSA-N

物化性质

• 沸点：
  237.2±8.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)
• LogP：
  4.026 (est)
• 物理描述：
  Colourless oily liquid; Soft-turpentine aroma
• 溶解度：
  Soluble in water, oils
• 折光率：
  1.461-1.465

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为产物：
  描述：

  冰片 、 丙酰氯 生成 isobornyl propionate
  参考文献：
  名称：

  Tschugajew, Chemische Berichte, 1898, vol. 31, p. 1778

  摘要：

  DOI：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• [EN] WOODY ODORANTS<br/>[FR] MATIÈRES ODORANTES BOISÉES
  申请人：FIRMENICH & CIE

  公开号：WO2013092781A1

  公开（公告）日：2013-06-27

  The present invention concerns compounds of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein one dotted line represents a carbon-carbon single or double bond and the others a carbon-carbon single bond; each R, independently from each other, represents a hydrogen atom or a methyl or ethyl group provided that at least one of said R groups represents a methyl or ethyl group; and R1 represents a methyl or ethyl group; and their use in perfumery to impart odor notes of the woody type having cedar, ambery, patchouli and/or rooty aspect.

  本发明涉及公式（I）的化合物，其为其立体异构体之一或其混合物的形式，其中一个点线代表碳-碳单键或双键，其他代表碳-碳单键；每个R，彼此独立，代表氢原子或甲基或乙基基团，前提是至少其中一个R基团代表甲基或乙基基团；R1代表甲基或乙基基团；以及它们在香水中的使用，用于赋予具有雪松、琥珀、广藿香和/或根茎特征的木质气味。
• FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS
  申请人：The Procter & Gamble Company

  公开号：US20160115424A1

  公开（公告）日：2016-04-28

  The present invention relates to a fragrance composition comprising ionic liquids for enhanced evaporation of the perfume raw materials. The invention also relates to methods of use of the fragrance compositions for perfuming suitable substrates, particularly skin and hair.

  本发明涉及一种包括离子液体的香精组合物，用于增强香料原料的蒸发。该发明还涉及使用这种香精组合物来为合适的基底，特别是皮肤和头发，进行香水处理的方法。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Fragrance Compositions Comprising Ionic Liquids
  申请人：The Procter & Gamble Company

  公开号：US20170121633A1

  公开（公告）日：2017-05-04

  The present invention relates to a fragrance composition comprising ionic liquids for delayed evaporation of the perfume raw materials. The invention also relates to methods of use of the fragrance compositions for perfuming suitable substrates, particularly skin and hair.

  本发明涉及一种香精组合物，包括离子液体，用于延迟香水原料的挥发。该发明还涉及使用香精组合物来香味适合的基质的方法，特别是皮肤和头发。