三甲基己醇 | 1331-39-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 三甲基己醇
• 英文名称: Dimethyl-2,3-heptanol-2
• 英文别名: 2,3-dimethyl-heptan-2-ol；trimethylhexanol；Hexanol, trimethyl-；2,3-dimethylheptan-2-ol
• CAS: 1331-39-1
• 化学式: C₉H₂₀O
• 分子量: 144.257
• InChiKey: PQSMEVPHTJECDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  172-195 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三甲基己醇 、 苯酚 生成 4-(1,1,2-trimethylhexyl)phenol
  参考文献：
  名称：

  三种异构体混合物中13种支化对壬基酚中13种支化对壬基酚的雌激素当量浓度，采用其合成标准品，采用SIM模式，采用GC-MS和两种新的非对映异构体，通过异构体特异性测定。

  摘要：

  通过SIM的结构特异性离子m / z 135、149或163的合成标准品，使用GC-MS，通过合成标准物，在三种技术混合物中选择了13种支链对壬基酚（对-NP）异构体。在13种异构体中，有4种异构体，分别是4-（2,4-二甲基庚基-4-基）苯酚，4-（4-甲基辛基-4-基）苯酚，4-（3-乙基-2-甲基己-2-基）首先将用于测定的）苯酚（3E22NP）和4-（2,3-二甲基庚基-2-基）苯酚用作标准物质。工业混合物中的13种异构体的质量百分比含量分别超过2％。东京化学工业公司（TCI），Aldrich和Fluka的混合物中的总质量百分比分别为89 +/- 2％，75 +/- 4％和77 +/- 2％。三种混合物中4-（3,6-二甲基庚基-3-基）苯酚的丰度最大，为11.1 +/- 2％至9。9 +/- 0.3％，而4-（2-甲基辛烷-2-基）苯酚最小，为2.9 +/- 0.3％至3.0 +/-

  DOI：

  10.1016/j.chemosphere.2007.09.049
• 作为产物：
  描述：

  2,3-dimethyl-hept-6-en-4-yne-2,3-diol 在 potassium hydrogensulfate 、 乙醇 、 镍 、 邻苯三酚 作用下， 生成 三甲基己醇
  参考文献：
  名称：

  Nasarow; Torgow, Zhurnal Obshchei Khimii, 1948, vol. 18, p. 1480,1483, 1489

  摘要：

  DOI：

文献信息

• Perfumes
  申请人：——

  公开号：US20030199422A1

  公开（公告）日：2003-10-23

  A substantially odourless aromatic amine trapping agent is used in a composition including perfume for the purpose of enabling the perfume and trapping agent to react chemically together spontaneously and reversibly to form a reaction product form which the perfume can be released. In the reaction product, the perfume may be protected against degradation, premature evaporation etc., with the perfume being releasable from the reaction product. In contrast to a pro-perfume, the reaction product formed the present invention is not used by being included as such in a mixture of perfumes or perfumed product, but instead the perfume and trapping agent are included in a mixture of perfumes or perfumed product where they react spontaneously in situ to form a transient reaction product for subsequent release of the perfume. The invention also provides a perfume composition including the trapping agent.

  一种基本无气味的芳香胺捕捉剂被用于包括香水在内的组合物中，目的是使香水和捕捉剂能够自发和可逆地发生化学反应，形成一种反应产物形式，从中香水可以释放出来。在反应产物中，香水可能受到保护，防止降解、过早蒸发等，香水可以从反应产物中释放出来。与前香水不同，本发明形成的反应产物不是通过将其作为混合香水或香水产品的一部分而使用的，而是将香水和捕捉剂包含在混合香水或香水产品中，在现场自发地发生反应，形成瞬时反应产物，以便随后释放香水。该发明还提供了包括捕捉剂的香水组合物。
• Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air
  申请人：Wieprecht Torsten

  公开号：US20060019853A1

  公开（公告）日：2006-01-26

  Use, as a catalyst for oxidation reactions using molecular oxygen and/or air, of at least one metal complex compound of formula (1) wherein Me is manganese, titanium, iron, cobalt, nickel or copper, X is a coordinating or bridging radical, n and m are each independently of the other an integer having a value of from 1 to 8, p is an integer having a value of from 0 to 32, z is the charge of the metal complex, Y is a counter-ion, q=z/(charge of Y), and L is a ligand of formula (2) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are each independently of the others hydrogen; unsubstituted or substituted C 1 -C 18 alkyl or aryl; cyano; halogen; nitro; —COOR 12 or —SO 3 R 12 wherein R 12 is in each case hydrogen, a cation or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —SR 13 , —SO 2 R 13 or —OR 13 wherein R 13 is in each case hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —NR 14 R 15 ; —(C 1 -C 6 alkylene)-NR 14 R 15 ; —N (+) R 14 R 15 R 16 ; —(C 1 -C 6 alkylene)-N (+) R 14 R 15 R 16 ; —N(R 13 )—(C 1 -C 6 alkylene)-NR 14 R 15 ; —N[(C 1 -C 6 alkylene)-NR 14 R 15 ] 2 ; —N(R 13 )—(C 1 -C 6 alkylene)-N (+) R 14 R 15 R 16 ; —N[(C 1 -C 6 alkylene)-N (+) R 14 R 15 R 16]2 ; —N(R 13 )—N—R 14 R 15 or —N(R 13 )N″R 14 R 15 R 16 , wherein R 13 is as defined above and R 14 , R 15 and R 16 are each independently of the other(s) hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl, or R 14 and R 15 , together with the nitrogen atom linking them, form an unsubstituted or substituted 5-, 6- or 7-membered ring which may contain further hetero atoms. [L n Me m X p ] z Y q (1)

  使用至少一种具有以下式（1）的金属配合物化合物作为氧化反应的催化剂，其中Me为锰、钛、铁、钴、镍或铜，X为配位或桥联基团，n和m分别独立地为1至8之间的整数，p为0至32之间的整数，z为金属配合物的电荷，Y为对离子，q=z/(Y的电荷)，L为具有以下式（2）的配体，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11各自独立地为氢；未取代或取代的C1-C18烷基或芳基；氰基；卤素；硝基；—COOR12或—SO3R12，其中R12在每种情况下为氢、阳离子或未取代或取代的C1-C18烷基或芳基；—SR13、—SO2R13或—OR13，其中R13在每种情况下为氢或未取代或取代的C1-C18烷基或芳基；—NR14R15；—(C1-C6烷基)-NR14R15；—N(+)R14R15R16；—(C1-C6烷基)-N(+)R14R15R16；—N(R13)—(C1-C6烷基)-NR14R15；—N[(C1-C6烷基)-NR14R15]2；—N(R13)—(C1-C6烷基)-N(+)R14R15R16；—N[(C1-C6烷基)-N(+)R14R15R16]2；—N(R13)—N—R14R15或—N(R13)N″R14R15R16，其中R13如上定义，R14、R15和R16各自独立地为氢或未取代或取代的C1-C18烷基或芳基，或R14和R15与连接它们的氮原子一起形成未取代或取代的5、6或7成员环，该环可能含有进一步的杂原子。[LnMemXp]zYq（1）
• Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester
  申请人：Kawahara Yasuyuki

  公开号：US20050038283A1

  公开（公告）日：2005-02-17

  A diester represented by the formula wherein A represents a cyclohexane ring, cyclohexene ring or benzene ring, X is H or methyl group, R X and R Y are the same or different and each is C3-C18 branched-chain alkyl group, C1-C18 straight-chain alkyl group, C2-C18 straight-chain alkenyl or C3-C18 cycloalkyl, provided that when A is a benzene ring, R X and R Y are different from each other and —COOR X and —COOR Y are attached to two adjacent carbon atoms of the benzene ring, and having the following properties: 1) a total acid number of 0.05 mgKOH/g or less, 2) a sulfated ash content of 10 ppm or less, 3) a sulfur content of 20 ppm or less, 4) a phosphorus content of 20 ppm or less, 5) a peroxide value of 1.0 meq/kg or less, 6) a carbonyl value of 10 or less; 7) a volume resistivity of 1×10 11 Ω·cm or more, 8) a hydroxyl value of 3 mgKOH/g or less, and 9) a water content of 100 ppm or less, a process for preparing the same and a refrigerator lubricating oil comprising the diester.

  由以下公式表示的二酯，其中A代表环己烷环、环己烯环或苯环，X为H或甲基基团，RX和RY相同或不同，且每个均为C3-C18支链烷基基团、C1-C18直链烷基基团、C2-C18直链烯基或C3-C18环烷基，前提是当A为苯环时，RX和RY彼此不同，且—COORX和—COORY连接到苯环的两个相邻碳原子，并具有以下特性：1）总酸值为0.05 mgKOH/g或更低，2）硫酸盐灰分含量为10 ppm或更低，3）硫含量为20 ppm或更低，4）磷含量为20 ppm或更低，5）过氧化值为1.0 meq/kg或更低，6）羰基值为10或更低；7）体积电阻率为1×1011Ω·cm或更高，8）羟值为3 mgKOH/g或更低，9）水含量为100 ppm或更低，制备该二酯的方法以及包含该二酯的制冷剂润滑油。
• CLEAR COAT FORMULATIONS FOR USE OVER NAIL POLISH
  申请人：Elementis Specialties, Inc.

  公开号：US20180353421A1

  公开（公告）日：2018-12-13

  A clear coating composition for use over nail polish. The clear coating composition comprises (a) a crosslinkable coating composition comprising: ingredient A that has at least two protons that can be activated to form a Michael carbanion donor; ingredient B that functions as a Michael acceptor having at least two ethylenically unsaturated functionalities each activated by an electron-withdrawing group; and a dormant carbamate initiator of Formula (1) wherein R 1 and R 2 can be independently selected from hydrogen, a linear or branched substituted or unsubstituted alkyl group having 1 to 22 carbon atoms; 1 to 8 carbon atoms; 1 to 3 carbon atoms; and A n+ is a cationic species or polymer and n is an integer equal or greater than 1 with the proviso that A n+ is not an acidic hydrogen; an ingredient D having one or more reactive protons that are more acidic than the two protons of ingredient A, with respect to pKa; at least one organic solvent; with the proviso that the clear coating composition is free of FD&C or D&C dyes, lakes or pigments. The clear coating composition optionally further comprising ammonium carbamate (H 2 NR 1 R 2 +− OC═ONR 1 R 2 ).

  一种用于在指甲油上使用的清漆组合物。该清漆组合物包括(a) 交联性涂层组合物，包括：成分A，其具有至少两个质子，可被激活形成Michael碳负离子给体；成分B，其作为Michael受体，具有至少两个由电子吸引基激活的烯丙基未饱和官能团；以及式（1）的休眠氨甲酸酯引发剂，其中R1和R2可以独立地选择为氢、具有1至22个碳原子的线性或支链取代或未取代的烷基基团；1至8个碳原子；1至3个碳原子；以及An+是阳离子物种或聚合物，n是大于等于1的整数，但An+不是酸性氢；成分D具有比成分A的两个质子更酸性的一个或多个反应性质子，相对于pKa；至少一种有机溶剂；前提是，该清漆组合物不含FD＆C或D＆C染料、颜料或颜料。该清漆组合物可以进一步包括氨甲酸铵（H2NR1R2 +−OC═ONR1R2）。
• [EN] CROSSLINKABLE COATING COMPOSITIONS FORMULATED WITH DORMANT CARBAMATE INITIATOR<br/>[FR] COMPOSITIONS DE REVÊTEMENT RÉTICULABLES FORMULÉES AVEC INITIATEUR DE CARBAMATE DORMANT
  申请人：ELEMENTIS SPECIALTIES INC

  公开号：WO2018005077A1

  公开（公告）日：2018-01-04

  A crosslinkable coating composition comprising: ingredient A that has at least two protons that can be activated to form a Michael carbanion donor; ingredient B that functions as a Michael acceptor having at least two ethylenically unsaturated functionalities each activated by an electron -withdrawing group; and a dormant carbamate initiator of Formula (1) wherein R1 and R2 can be independently selected from hydrogen, a linear or branched substituted or unsubstituted alkyl group having 1 to 22 carbon atoms; 1 to 8 carbon atoms; and An+ is a cationic species or polymer and n is an integer equal or greater than 1 with the proviso that An+ is not an acidic hydrogen; and optionally further comprising ammonium carbamate (H2NR1R2+ OC=ONR1R2). The crosslinkable coating composition can be used for a variety of coating applications including nail coating compositions.

  一种可交联的涂层组成物，包括：成分A，其具有至少两个质子，可被激活形成Michael的碳负离子给体；成分B，其作为Michael受体，具有至少两个乙烯基不饱和官能团，每个官能团由一个电子吸引基激活；以及公式（1）中的休眠氨基甲酸酯引发剂，其中R1和R2可以独立地选择为氢，具有1至22个碳原子的线性或支链取代或未取代的烷基基团；1至8个碳原子；An+是阳离子物种或聚合物，n是大于或等于1的整数，前提是An+不是酸性氢；并且可选择进一步包括氨基甲酸铵（H2NR1R2+OC=ONR1R2）。该可交联的涂层组成物可用于各种涂层应用，包括指甲涂层组成物。