3-methyl-heptane-3,5-diol | 99799-27-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-heptane-3,5-diol
• 英文别名: 3-Methyl-heptan-3,5-diol；α-Methyl-α.α'-diaethyl-trimethylenglykol；3-Methyl-3,5-heptanediol；3-methylheptane-3,5-diol
• CAS: 99799-27-6
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: AREOBENUACTGHH-UHFFFAOYSA-N

物化性质

• 沸点：
  112-114 °C(Press: 12 Torr)
• 密度：
  0.929 g/cm3(Temp: 21 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-heptane-3,5-diol 、 3,5-二硝基苯甲酸 在 对甲苯磺酰氯 作用下， 生成 3,5-bis-(3,5-dinitro-benzoyloxy)-3-methyl-heptane
  参考文献：
  名称：

  Rearrangement in the Addition of Grignard Reagents to Enol Lactones

  摘要：

  DOI：

  10.1021/ja01569a038
• 作为产物：
  描述：

  5-羟基-5-甲基庚烷-3-酮 在 sodium hydroxide 、 platinized nickel 、 乙醇 作用下， 生成 3-methyl-heptane-3,5-diol
  参考文献：
  名称：

  Dubois, Annales de Chimie (Cachan, France), 1951, vol. <12> 6, p. 406,456

  摘要：

  DOI：

文献信息

• Concentrated, stable, translucent or clear, fabric softening compositions including chelants
  申请人：Wahl Hoffman Errol

  公开号：US20050202998A1

  公开（公告）日：2005-09-15

  Clear or translucent fabric softening compositions having a biodegradable fabric softening active and an added chelating agent are disclosed. The biodegradable fabric softening active preferably has the formula: wherein each R substituent is hydrogen or a short chain C 1 -C 6 , preferably C 1 -C 3 alkyl or hydroxyalkyl group, e.g., methyl (most preferred), ethyl, propyl, hydroxyethyl, and the like, benzyl, or mixtures thereof; each m is 2 or 3; each n is from 1 to about 4, preferably 2; each Y is —O—(O)C—, —(R)N—(O)C—, —C(O)—N(R)—, or —C(O)—O—, preferably —O—(O)C—; the sum of carbons in each R 1 , plus one when Y is —O—(O)C— or —(R)N—(O)—, is C 6 -C 22 , preferably C 12-22 , more preferably C 14 -C 20 , but no more than one R 1 or YR 1 sum being less than about 12 and then the other R 1 or YR 1 sum is at least about 16, with each R 1 being a long chain C 5 -C 21 (or C 6 -C 22 ), preferably C 9 -C 19 (or C 9 -C 20 ), most preferably C 11 -C 17 (or C 12 -C 18 ), straight, branched, unsaturated or polyunsatruated alkyl, the average Iodine Value of the parent fatty acid of the R 1 being from about 20 to about 140. The chelating agent is preferably diaminetriaminepentaacetic acid. The compositions display excellant clarity with a percentage haze in the transmission mode of a Hunter Color analysis of less than 90%, preferably less than 50%.

  本文揭示了具有可生物降解织物柔软活性剂和添加螯合剂的透明或半透明织物柔软组合物。可生物降解织物柔软活性剂优选具有以下公式： 其中，每个R取代基是氢或短链C1-C6，优选是C1-C3烷基或羟基烷基，例如，甲基（最优选），乙基，丙基，羟乙基等，苯甲基或其混合物；每个m为2或3；每个n为1至约4，优选为2；每个Y为—O—（O）C—，—（R）N—（O）C—，—C（O）—N（R）—或—C（O）—O—，优选为—O—（O）C—；当Y为—O—（O）C—或—（R）N—（O）—时，每个R1中碳的总数加一为C6-C22，优选为C12-22，更优选为C14-C20，但不超过一个R1或YR1总和小于约12，然后另一个R1或YR1总和至少约为16，每个R1为长链C5-C21（或C6-C22），优选为C9-C19（或C9-C20），最优选为C11-C17（或C12-C18），直链、支链、不饱和或多不饱和烷基，R1的父脂肪酸的平均碘值约为20至约140。螯合剂优选为二氨基三乙酸五钠盐。该组合物在Hunter Color分析的透射模式下具有出色的清晰度，其百分之雾度小于90％，优选小于50％。
• Concentrated, stable, preferably clear, fabric softening composition
  申请人：Trinh Toan

  公开号：US20060058216A1

  公开（公告）日：2006-03-16

  Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.

  本发明揭示了主要溶剂，特别是具有ClogP约为0.15至约0.64，优选为约0.25至约0.62，更优选为约0.40至约0.60的单醇和双醇主要溶剂，具有制备含有长链疏水基中酯键的相对高浓度织物柔顺剂活性成分的清澈水性织物柔顺剂组合物的能力。织物柔顺剂活性成分可以是不饱和的，也可以具有中等长度的链（约C12-14），所述主要溶剂的使用水平小于约40％。其他溶剂可以存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔顺剂活性成分、主要溶剂和可选的其他溶剂的预混物在制备完整配方时是有用的，因为它们可以避免/限制加热的需要。
• Concentrated, stable fabric softening composition
  申请人：——

  公开号：US20030153483A1

  公开（公告）日：2003-08-14

  Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.

  本发明涉及主要溶剂，特别是具有从约0.15到约0.64的ClogP值的单醇和二醇主要溶剂，优选从约0.25到约0.62，更优选从约0.40到约0.60，具有使含有长的亲水性链中的酯键的织物柔软剂活性成分相对高浓度的清澈水性织物柔软剂组合物的能力。织物柔软剂活性成分可以是不饱和的，也可以具有中等长度的链（约C12-14），所述主要溶剂的使用水平低于约40％。其他溶剂可能也存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔软剂活性成分、主要溶剂和可选的其他溶剂的预混物可用于制备完整配方，从而避免/限制加热的需要。
• Fabric softening compound/composition
  申请人：The Procter & Gamble Company

  公开号：US05747443A1

  公开（公告）日：1998-05-05

  Fabric softening actives having hydrophobic moieties containing, preferably, ester, or amide, linkages and mixed branched and unsaturated hydrophobic groups provide improved processing and stability as well as surprisingly good softening. Preferred compositions contain mono-ol and diol principal solvents having a ClogP of from about 0.15 to about 0.64, that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of the said fabric softener actives having ester linkages in their long, hydrophobic chains. Other solvents may be present. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating. Other compositions can be prepared which are solid or dispersions of the said fabric softening actives.

  含有亲水性较弱的酯或酰胺键以及混合支链和不饱和烃基的柔顺剂活性剂提供了改进的加工和稳定性以及出乎意料的柔软效果。首选组合物包含具有ClogP约为0.15至约0.64的单醇和二醇主溶剂，具有制备含有长链中含有酯键的柔顺剂活性剂的相对高浓度的清澈水性柔顺剂组合物的能力。其他溶剂也可以存在。柔顺剂活性剂、主要溶剂和可选其他溶剂的预混物对于通过消除/限制加热的需要来制备完整配方非常有用。还可以制备其他固体或分散的柔顺剂活性剂组合物。
• Concentrated stable, translucent or clear fabric softening compositions including chelants
  申请人：Wahl Errol Hoffman

  公开号：US06943144B1

  公开（公告）日：2005-09-13

  Clear or translucent fabric softening compositions having a biodegradable fabric softening active and an added chelating agent are disclosed. The biodegradable fabric softening active preferably has the formula: [(R) 4-m —N (+) —[(CH 2 ) n —Y—R 1 ] m ]X (−) (1) wherein each R substituent is hydrogen or a short chain C 1 -C 6 , preferably C 1 -C 3 alkyl or hydroxyalkyl group, e.g., methyl (most preferred), ethyl, propyl, hydroxyethyl, and the like, benzyl, or mixtures thereof; each m is 2 or 3; each n is from 1 to about 4, preferably 2; each Y is —O—(O)C—, —(R)N—(O)C—, —C(O)—N(R)—, or —C(O)—O—, preferably —O—(O)C—; the sum of carbons in each R 1 , plus one when Y is —O—(O)C— or —(R)N—O)C—, is C 6 -C 22 , preferably C 12-22 , more preferably C 14 -C 20 , but no more than one R 1 or YR 1 sum being less than about 12 and then the other R 1 or YR 1 sum is at least about 16, with each R 1 being a long chain C 5 -C 21 (or C 6 -C 22 ), preferably C 9 -C 19 (or C 9 -C 20 ), most preferably C 11 -C 17 (or C 12 -C 18 ), straight, branched, unsaturated or polyunsatruated alkyl, the average Iodine Value of the parent fatty acid of the R 1 being from about 20 to about 140. The chelating agent is preferably diaminetriaminepentaacetic acid. The compositions display excellant clarity with a percentage haze in the transmission mode of a Hunter Color analysis of less than 90%, preferably less than 50%.

  本发明涉及一种具有可生物降解织物柔软剂活性和添加螯合剂的透明或半透明织物柔软剂组合物。其中，可生物降解织物柔软剂活性具有如下公式：[(R)4-m—N(+)—[(CH2)n—Y—R1]m]X(-)（1），其中，每个R取代基是氢或短链C1-C6，优选C1-C3烷基或羟基基团，例如，甲基（最优选）、乙基、丙基、羟乙基等，苯甲基或其混合物；每个m为2或3；每个n为1到约4，优选2；每个Y为—O—(O)C—、—(R)N—(O)C—、—C(O)—N(R)—或—C(O)—O—，优选为—O—(O)C—；每个R1中碳的总数加上当Y为—O—(O)C—或—(R)N—O)C—时为1，为C6-C22，优选C12-22，更优选C14-C20，但不能有一个R1或YR1的总和小于约12，然后另一个R1或YR1的总和至少为约16，每个R1为长链C5-C21（或C6-C22），优选为C9-C19（或C9-C20），最优选为C11-C17（或C12-C18），为直链、支链、不饱和或多不饱和烷基，其父脂肪酸的平均碘值为约20到约140。螯合剂优选为二氨基三乙酸五钠。该组合物具有良好的透明度，在Hunter Color分析的透射模式下的百分之雾度小于90％，优选小于50％。