2,6-dimethyl-cyclohex-3-enecarboxylic acid | 518034-66-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,6-dimethyl-cyclohex-3-enecarboxylic acid
• 英文别名: 2,6-Dimethyl-cyclohex-3-encarbonsaeure；2.6-Dimethyl-Δ³-tetrahydrobenzoesaeure；1.3-Dimethyl-cyclohexan-(4)-carbonsaeure-(2)；Δ³-Tetrahydro-vic.-m-xylylsaeure；2,6-Dimethyl-cyclohexen-(3)-carbonsaeure-(1) vom F.: 68.5-69grad；2,6-Dimethyl-cyclohexen-(3)-carbonsaeure-(1) vom F. 85.5-87grad；2,6-Dimethyl-3-cyclo-hexene-1-carboxylic；2,6-dimethylcyclohex-3-ene-1-carboxylic acid
• CAS: 518034-66-7
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: UCVWSOAZIDUTMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-cyclohex-3-enecarboxylic acid 在 溴 作用下， 生成 3,4-dibromo-2,6-dimethyl-cyclohexanecarboxylic acid
  参考文献：
  名称：

  Hufferd; Noyes, Journal of the American Chemical Society, 1921, vol. 43, p. 928

  摘要：

  DOI：
• 作为产物：
  描述：

  间戊二烯 在 氢氧化钾 、 对苯二酚 作用下， 生成 2,6-dimethyl-cyclohex-3-enecarboxylic acid
  参考文献：
  名称：

  Arbusow; Kataew, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 68,70, 76

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GIVAUDAN SA

  公开号：WO2017097938A1

  公开（公告）日：2017-06-15

  A compound of formula (I), in which, independently, R1 is selected from H and methyl; R2 is selected from H, and methyl; R3 is selected from H, methyl and ethyl; R4 is selected from H, methyl and ethyl; or R3 and R4 together form a ring in which n is 1 or 2. The compounds have the characteristic desirable odour qualities of the DamasconeTM molecules, but lack their disadvantageous skin sensitization effects.

  式（I）的化合物，其中，独立地，R1从H和甲基中选择；R2从H和甲基中选择；R3从H、甲基和乙基中选择；R4从H、甲基和乙基中选择；或者R3和R4一起形成一个环，其中n为1或2。这些化合物具有DamasconeTM分子的特征理想的气味特性，但缺乏其不利的皮肤致敏效应。
• [EN] SILSESQUIOXANE PHOTOINITIATORS<br/>[FR] PHOTO-INITIATEURS SILSESQUIOXANES
  申请人：BASF SE

  公开号：WO2010063612A1

  公开（公告）日：2010-06-10

  Photoinitiator compounds comprising both a photoactive moiety and an amine functionality, bonded to a polyhedral oligomeric silsesquioxane, which photoinitiator is represented by formula (1) or (1') wherein n is 2m; m is an integer of 2 to 30; the sum of n' + a is an integer 4-60; n' is an even-numbered integer; a is an even-or uneven-numbered integer; and for example different A C1-C12alkyl, or a photoactive moiety Q1, or a group of formula (2); E for example is a direct bond, L is linear or branched C1-C3alkylene, preferably propylene; R1 and R2 for example are a photoactive moiety Q, or C2-20alkyl; Q is for example a group of formula (4); Z2 is for example C1-C6alkylene which is unsubstituted or substituted by one or more OR6; and R6, R12, R13 and R14 for example are hydrogen; are especially suitable as low-migrating photoinitiators.

  具有光活性基团和胺基官能团的光引发剂化合物，与多面体寡聚硅氧烷结合，该光引发剂由公式（1）或（1'）表示，其中n为2m；m为2至30的整数；n'+a的总和为4-60的整数；n'为偶数整数；a为偶数或奇数整数；例如不同的A C1-C12烷基，或光活性基团Q1，或公式（2）的基团；例如E为直接键，L为线性或支链C1-C3烷基，优选丙烯基；例如R1和R2为光活性基团Q，或C2-20烷基；例如Q为公式（4）的基团；例如Z2为未取代或取代一个或多个OR6的C1-C6烷基；例如R6、R12、R13和R14为氢；特别适用于低迁移光引发剂。
• Perfume ketones
  申请人：Givaudan, S.A.

  公开号：US10570080B2

  公开（公告）日：2020-02-25

  A compound of the formula (I) in which, independently, R1 is selected from H and methyl; R2 is selected from H, and methyl; R3 is selected from H, methyl and ethyl; R4 is selected from H, methyl and ethyl; or R3 and R4 together form a ring in which n is 1 or 2. The compounds have the characteristic desirable odour qualities of the Damascone® molecules, but lack their disadvantageous skin sensitization effects.

  式 (I) 的化合物 其中，独立地 R1 选自 H 和甲基 R2 选自 H 和甲基 R3 选自 H、甲基和乙基 R4 选自 H、甲基和乙基； 或 R3 和 R4 共同形成一个 n 为 1 或 2 的环。 这些化合物具有 Damascone® 分子所特有的理想气味品质，但没有皮肤过敏的缺点。
• Holmes et al., Canadian Journal of Research, Section B: Chemical Sciences, 1948, vol. 26, p. 248,252
  作者：Holmes et al.

  DOI：——

  日期：——
• Nasarow et al., Zhurnal Obshchei Khimii, 1955, vol. 25, p. 88,90;engl.Ausg.S.75,77
  作者：Nasarow et al.

  DOI：——

  日期：——