83883-25-4 (4-(6-羟基己氧基)苯甲酸,4-((6-Hydroxyhexyl)oxy)benzoic acid)

CAS号:
83883-25-4
中文名称:
4-(6-羟基己氧基)苯甲酸
英文名称:
4-((6-Hydroxyhexyl)oxy)benzoic acid
分子式:
C13H18O4
分子量:
238.279624462128

4-(6-羟基己氧基)苯甲酸(83883-25-4)名称与标识符

名称

中文别名:
4-(6-羟基己氧基)苯甲酸;
英文别名:
4-((6-Hydroxyhexyl)oxy)benzoic acid;4-(6-Hydroxyhexyloxy)benzoic Acid;4-(6-Hydroxyhex-1-yloxy)benzoicacid;4-(6-hydroxyhexoxy)benzoic acid;4-(6-HYDROXY-HEXYLOXY)BENZOIC ACID;4-[(6-hydroxyhexyl)oxy]Benzoic acid;Benzoic acid,4-[(6-hydroxyhexyl)oxy]-;4-(6-hydroxyhexyloxy)benzoate;p-[(6-Hydroxyhexyl)oxy]benzoic acid;4-(6-Hydroxyhex-1-yloxy)benzoic acid;VVYHWYFUTOHXRH-UHFFFAOYSA-N;4-(6-Hydroxy-hexyloxy)-benzoic acid;4[(6-hydroxyhexyl)oxy]benzoic acid;4-(6-hydroxyhexyloxy)-benzoic acid;2911AC;4-(6- hydroxyhexyloxy)-benzoic acid;Benzoic ;4-[(6-Hydroxyhexyl)oxy]benzoic acid (ACI);H1629;4-((6-Hydroxyhexyl)oxy)benzoicacid;AKOS016003278;4-((6-hydroxyhexyl);oxy);benzoic acid;MFCD00971624;SCHEMBL223467;AS-62251;DA-20689;83883-25-4;4'-(6-Hydroxyhexyloxy)benzoic acid;DTXSID20394458;

标识符

MDL:
MFCD00971624
InChIKey:
VVYHWYFUTOHXRH-UHFFFAOYSA-N
Inchi:
1S/C13H18O4/c14-9-3-1-2-4-10-17-12-7-5-11(6-8-12)13(15)16/h5-8,14H,1-4,9-10H2,(H,15,16)
SMILES:
O=C(C1C=CC(OCCCCCCO)=CC=1)O

4-(6-羟基己氧基)苯甲酸(83883-25-4)物化性质

实验特性

  • LogP : 2.31630
  • PSA : 66.76000
  • 折射率 : 1.539
  • 沸点 : 418.3°C at 760 mmHg
  • 熔点 : 139-140 ºC
  • 闪点 : 157.9°C
  • 密度 : 1.156

计算特性

  • 精确分子量 : 238.12100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 8
  • 同位素质量 : 238.121
  • 重原子数量 : 17
  • 复杂度 : 210
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.1
  • 拓扑分子极性表面积 : 66.8

4-(6-羟基己氧基)苯甲酸(83883-25-4)海关数据

海关编码:
2918990090
海关数据:

中国海关编码:

2918990090

概述:

2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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4-(6-羟基己氧基)苯甲酸(83883-25-4)合成路线

合成路线:1 步
反应条件:
参考文献:
Programmable Chromism and Photoluminescence of Spiropyran-Based Liquid Crystalline Polymer with Tunable Glass Transition Temperature
Hu, Wei; et al, Angewandte Chemie, 2021, 60(35), 19406-19412
合成路线:1 步
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参考文献:
Allyl sulfide-based visible light-induced dynamically reshaped liquid crystalline elastomer/SWCNT nanocomposites capable of multimode NIR photomechanical actuations
Wu, Zhongying; et al, New Journal of Chemistry, 2020, 44(26), 10902-10910
合成路线:1 步
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An Investigation of the Role of Cross-Linking and Photodegradation of Side-Chain Coumarin Polymers in the Photoalignment of Liquid Crystals
Jackson, Peregrine Orr; et al, Chemistry of Materials, 2001, 13(2), 694-703
合成路线:1 步
反应条件:
参考文献:
The first blue phase reactive monomers containing a bi-mesogenic core and their side-chain polymers
Wei, Chong-Lun; et al, Journal of Materials Chemistry C: Materials for Optical and Electronic Devices, 2015, 3(18), 4663-4669
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参考文献:
Direct synthesis of terminally "clickable" linear and hyperbranched polyesters
Ramkumar, S. G.; et al, Journal of Polymer Science, 2010, 48(14), 3200-3208
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Synthesis and mesophase characterization of novel methacrylate based thermotropic liquid crystalline monomers and their polymers
Siva Mohan Reddy, G.; et al, New Journal of Chemistry, 2014, 38(9), 4357-4364
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参考文献:
Synthesis and Photoinduced Reorientation of Liquid Crystalline Polymers with Phenyl Thiobenzoate Side Groups
Kawatsuki, Nobuhiro; et al, Macromolecules (Washington, 2013, 46(6), 2092-2099
合成路线:1 步
反应条件:
参考文献:
Crown-ether and azobenzene-containing liquid crystalline polymers: An influence of macromolecular architecture on optical properties and photo-orientation processes
Ryabchun, Alexander; et al, Journal of Polymer Science, 2011, 49(3), 625-633
合成路线:1 步
反应条件:
参考文献:
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Donato, Simone; et al, Macromolecular Rapid Communications, 2023, 44(9),
合成路线:1 步
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参考文献:
Synthesis of polymerizable liquid crystalline monomers and their side chain liquid crystalline polymers bearing azo-ester linked benzothiazole mesogen
Karim, Rabiul Md.; et al, Colloid and Polymer Science, 2015, 293(7), 1923-1935
合成路线:1 步
反应条件:
参考文献:
Hydrogen bonding and liquid crystallinity of low molar mass and polymeric mesogens containing benzoic acids: a variable temperature Fourier transform infrared spectroscopic study
Martinez-Felipe, A.; et al, Phase Transitions, 2014, 87(12), 1191-1210
合成路线:1 步
反应条件:
参考文献:
Liquid crystalline properties of cholesteric elastomers based on a mesogenic monomer containing menthyl groups
Hu, Jian-She; et al, Polymer International, 2012, 61(7), 1186-1192
合成路线:2 步
反应条件:
参考文献:
Side-Chain Liquid Crystalline Poly(meth)acrylates with Bent-Core Mesogens
Chen, Xiaofang; et al, Macromolecules, 2007, 40(4), 840-848
合成路线:2 步
反应条件:
参考文献:
Coupling of Photoinduced Mass Immigration with Polymer Networks to Produce Nanostructured Materials Capable of Reversibly Creating Arbitrary Deformations
Yin, Xianpeng; et al, Macromolecular Chemistry and Physics, 2018, 219(14),
合成路线:2 步
反应条件:
参考文献:
The first blue phase reactive monomers containing a bi-mesogenic core and their side-chain polymers
Wei, Chong-Lun; et al, Journal of Materials Chemistry C: Materials for Optical and Electronic Devices, 2015, 3(18), 4663-4669