2-己基-4-甲基-1,3-二氧戊环 | 4351-10-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 中文名称: 2-己基-4-甲基-1,3-二氧戊环
• 英文名称: 2-hexyl-4-methyl-1,3-dioxolane
• 英文别名: 2-hexyl-4-methyl-1,3-dioxolan
• CAS: 4351-10-4
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD01730120
• 分子量: 172.268
• InChiKey: GFNFPBSXMBRHRU-UHFFFAOYSA-N

物化性质

• 沸点：
  242.6°C (rough estimate)
• 密度：
  0.9224 (rough estimate)
• LogP：
  2.92
• 物理描述：
  Clear, colourless liquid; Green, fatty aroma
• 溶解度：
  Insoluble in water; soluble in organic solvents
• 折光率：
  1.425-1.430

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  2-己基-4-甲基-1,3-二氧戊环 以85%的产率得到
  参考文献：
  名称：

  KURAMSHIN, EH. M.;GUMEROVA, V. K.;DYACHENKO, V. A.;KULAK, L. G.;MOLYAVKO,+, ZH. OBSHCH. XIMII, 58,(1988) N 5, 1069-1075

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-丙二醇 、 庚醛 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 2-己基-4-甲基-1,3-二氧戊环
  参考文献：
  名称：

  乙缩醛和醚。11.烷基取代的1,3-二氧戊环和1,3-二氧六环在水中的溶解度

  摘要：

  DOI：

  10.1021/j150648a038

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。
• 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。
• [EN] MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE<br/>[FR] LACTONES TRIÉNIQUES MACROCYCLIQUES AYANT UNE STRUCTURE TRIÉNIQUE NON CONJUGUÉE, SON PROCÉDÉ DE PRODUCTION ET SON INTERMÉDIAIRE DE SYNTHÈSE
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2012115285A1

  公开（公告）日：2012-08-30

  The present invention provides a novel macrocyclic compound exhibiting superior odor qualities and having a musk-like aroma, a method for producing the same, and a novel flavor or fragrance composition, and food products or beverages, fragrances or cosmetics, daily necessities or household goods and oral products using the novel macrocyclic compound. The invention relates to a compound represented by the formula (1), wherein each of wavy lines represents at least one of an E-configuration of C=C double bond and an Z-configuration of C=C double bond; m represents an integer of 0 to 10; and n represents an integer of 1 to 11, and n represents an integer of 1 to 11 when m is 0 to 4 or 6 to 10, and n is an integer of 1or 3 to 11 when m is 5.

  本发明提供了一种新型的大环化合物，具有优异的气味特性和麝香般的香气，以及制备该化合物的方法和一种新型的风味或香料组合物，以及使用该新型大环化合物的食品或饮料、香水或化妆品、日用品或家居用品和口腔产品。该发明涉及一种由式（1）表示的化合物，其中波浪线表示C=C双键的E构型和Z构型中的至少一个；m表示0到10的整数；n表示1到11的整数，当m为0到4或6到10时，n表示1到11的整数，当m为5时，n表示1或3到11的整数。
• Hair Processing Agent And Method For Permanent Waving Hair
  申请人：Shibuya Akira

  公开号：US20080085251A1

  公开（公告）日：2008-04-10

  Provided are hair processing agents capable of permanent waving hair even at a neutral to weakly acidic pH range that causes less irritation to the skin, and hair processing agents in which an unpleasant odor is masked. Hair processing agents contain at least one compound represented by the formula (2). Hair processing agents contain a compound of the formula (2) and at least one compound (ii) selected from thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine, salts thereof and ester derivatives thereof. Hair processing agents contain a compound of the formula (2), a surfactant and water, and are emulsified. Hair processing agents contain a compound of the formula (2) and a specific perfume. wherein X is a structure selected from —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; in the formula (1), Z is a divalent organic residue having at least one mercapto group; in the formula (2), R is a divalent organic residue optionally having a mercapto group; and R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms.

  提供了能够在中性至微酸性pH范围内进行永久性卷发的头发处理剂，其对皮肤刺激较小，并且掩盖了不愉快的气味。头发处理剂包含至少一种由公式（2）表示的化合物。头发处理剂包含公式（2）的化合物和至少一种从巯基乙酸，巯基乳酸，半胱氨酸，乙酰半胱氨酸，半胱氨醇，酰基半胱氨醇，其盐和酯衍生物中选择的化合物（ii）。头发处理剂包含公式（2）的化合物，表面活性剂和水，并且是乳化的。头发处理剂包含公式（2）的化合物和特定香水。其中X是从-O-，-S-，-NH-和-NR1-选择的结构；R1是1到6个碳原子的烷基；Y是氧原子或硫原子；在公式（1）中，Z是具有至少一个巯基的二价有机残基；在公式（2）中，R是二价的有机残基，可选地具有巯基；R2是氢原子或1到6个碳原子的烷基。
• MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE
  申请人：Inaba Teruhiko

  公开号：US20130324744A1

  公开（公告）日：2013-12-05

  The present invention provides a novel macrocyclic compound exhibiting superior odor qualities and having a musk-like aroma, a method for producing the same, and a novel flavor or fragrance composition, and food products or beverages, fragrances or cosmetics, daily necessities or household goods and oral products using the novel macrocyclic compound. The invention relates to a compound represented by the formula (1), wherein each of wavy lines represents at least one of an E-configuration of C═C double bond and an Z-configuration of C═C double bond; m represents an integer of 0 to 10; and n represents an integer of 1 to 11, and n represents an integer of 1 to 11 when m is 0 to 4 or 6 to 10, and n is an integer of 1 or 3 to 11 when m is 5.

  本发明提供了一种新型大环化合物，具有卓越的气味特性和麝香般的香气，以及其制备方法、新型风味或香料组合物和使用该新型大环化合物的食品或饮料、香料或化妆品、日用品或家居用品和口腔产品。该发明涉及一种由公式（1）表示的化合物，其中波浪线表示C = C双键的E构型和Z构型中的至少一个；m表示0至10的整数；n表示1至11的整数，当m为0至4或6至10时，n表示1至11的整数，当m为5时，n表示1或3至11的整数。