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2,6-octanediol

中文名称
——
中文别名
——
英文名称
2,6-octanediol
英文别名
Octane-2,6-diol
2,6-octanediol化学式
CAS
——
化学式
C8H18O2
mdl
——
分子量
146.23
InChiKey
ONGUKKAIGDNAGC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    10
  • 可旋转键数:
    5
  • 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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    正辛烷葡萄糖 、 Bacillus megaterium glucose dehydrogenase 、 还原型辅酶II(NADPH)四钠盐 作用下, 以 aq. phosphate buffer 为溶剂, 反应 4.0h, 生成 辛烷-3,6-二醇3,5-辛烷二醇2,6-octanediol
    参考文献:
    名称:
    非邻位脂肪族二醇的生物催化合成
    摘要:
    在细胞色素P450单加氧酶(CYP450s)和相关的过加氧酶的C–H键选择性加氧官能化领域,生物催化剂受到了越来越多的关注,并引领了该领域。在这里我们报告CYP505A30的底物滥交,以前被表征为脂肪酸羟化酶。除了饱和脂肪酸的区域选择性氧官能化(ω-1–ω-3羟基化)以外,伯脂肪醇也具有相似的区域选择性。此外,烷烃如正辛烷和正癸烷也容易被接受,从而允许通过顺序的氧合产生非邻位二醇。
    DOI:
    10.1039/d0ob02086a
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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。
  • LIGNIN DERIVED PHOTO-RESPONSIVE COATINGS
    申请人:EMPIRE TECHNOLOGY DEVELOPMENT LLC
    公开号:US20150307746A1
    公开(公告)日:2015-10-29
    Coating compositions that provide hydrophilic and self-cleaning properties upon exposure to an electromagnetic spectrum are disclosed. Coatings can include lignin-coumarate derivatives and/or lignin-azobenzene derivatives. When exposed to the electromagnetic spectrum, these compounds isomerize to cis-configuration which are hydrophilic in nature as compared to when these compounds are in their hydrophobic trans-state.
    本发明揭示了一种在电磁波谱曝光后具有亲水性和自洁性能的涂层组合物。涂层可以包括木质素-香豆酸衍生物和/或木质素-偶氮苯衍生物。当这些化合物暴露在电磁波谱中时,它们会异构化为顺式构型,与它们的疏水性反式状态相比,这些顺式构型具有亲水性质。
  • Monoepoxide-polyol adducts, and process for preparing the same
    申请人:SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.
    公开号:EP0404262A2
    公开(公告)日:1990-12-27
    An adduct of: a) one or more polyhydric alcohols of formula R(OH)n in which R or each R independently is an aliphatic or heterocyclic moiety of from 2 to 18 carbon atoms, the hydroxyl groups are attached to a primary carbon atom, or a secondary carbon atom with the proviso that there is a second hydroxyl group attached to a carbon atom no more than 4 carbon atoms away from said secondary carbon atom, and n or each n independently is an integer of from 2 to 6, and b) an at least equimolar amount of one or more monoepoxides of formula in which R′ or each R′ independently is an optionally substituted aromatic moiety of up to 14 carbon atoms, said adduct having a molecular weight distribution Mz/Mw of from 1 to 1.2.
    的加合物: a) 一种或多种式 R(OH)n 的多元醇,其中 R 或每个 R 独立地为 2 至 18 个碳原子的脂族或杂环分子,羟基连接到一级碳原子或二级碳原子上,但有第二个羟基连接到与所述二级碳原子相距不超过 4 个碳原子的碳原子上,且 n 或每个 n 独立地为 2 至 6 的整数,以及 b) 至少等摩尔量的一种或多种单环氧化物,其式为 其中 R′或各 R′独立地为最多 14 个碳原子的任选取代的芳香基团、 所述加合物的分子量分布 Mz/Mw 为 1 至 1.2。
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