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1,2-环己二甲醇 | 931-17-9

1,2-环己二甲醇
Cyclohexane-1,2-diol
931-17-9
C6H12O2
116.158282279968
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1,2-环己二甲醇结构式
13601
1,2-环己二甲醇价格
名称和标识符
MDL MFCD00003861
InChIKey PFURGBBHAOXLIO-UHFFFAOYSA-N
Inchi 1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
SMILES OC1C(O)CCCC1
BRN 2036627
别名信息
- 中文别名 -
  • 1,2-环己二甲醇
  • 1,2-环己二醇
  • 1,2-环己二醇 (顺反异构体混合物)
  • 1,2-Cyclohexanediol (cis- and trans- mixture) 1,2-环己二醇 (顺反异构体混合物)
  • 1,2-环己二醇,顺式+反式
  • 1,2-环己烷二醇
  • 1,2-环己二甲醇 (顺反混合物)
- 英文别名 -
  • Cyclohexane-1,2-diol
  • 1,2-Cyclohexanediol
  • 1,2-Cyclohexandiol
  • 1,2-Cyclohexanediol (cis- and trans- mixture)
  • 1,2-Benzenediol, hexahydro-
  • 1,2-Cyclohexanediol(cis&trans Mixture)
  • 1,2-Cyclohexanediol, cis
  • trans-mix
  • 1,2-Dihydroxycyclohexane (cis- and trans- mixture)
  • 1,2-Dihydroxycyclohexane
  • 2-Hydroxycyclohexanol
  • Pyrocatechitol
  • Brenzkatechin
  • Brenzkatechin [German]
  • 1,2-trans-Cyclohexanediol
  • trans-1,2-Dihydroxycyclohexane
  • PFURGBBHAOXLIO-UHFFFAOYSA-N
  • (cis/trans)-cyclohexane-1,2-diol
  • 1,2-Cyclohexanediol, mixture of cis and trans
  • trans-1,2-cyclohexandiol
  • 1,2-Cyclohexanediol, trans-
  • Hexahy
  • NSC 10110
物化性质
实验特性
LogP 0.28220
PSA 40.46000
折射率 1.4270 (estimate)
水溶性 溶解
沸点 236°C(lit.)
熔点 104°C(lit.)
闪点 118-120°C/10mm
颜色与性状 未确定
溶解性 可溶于水
密度 0.9958 (rough estimate)
计算特性
精确分子量 116.08400
氢键供体数量 2
氢键受体数量 2
可旋转化学键数量 0
同位素质量 116.08373
重原子数量 8
复杂度 62.9
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 2
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) 0.2
互变异构体数量
表面电荷 0
拓扑分子极性表面积 40.5
国际标准相关数据
EINECS 10110
海关数据
海关编码 2906199090
海关数据

中国海关编码:

2906199090

概述:

2906199090. 其他环烷醇,环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Catalysts for oxidation of olefins and ketones
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Manufacture of catechol and its derivatives
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Highly Efficient Hydration of Epoxides under Atmospheric Pressure and Low Water/Epoxide Ratios by a Tunable Azolate Ionic Liquid through Anion-Cation Synergetic Catalysis
Zhao, Zhenyu; Lu, Jiawei; Lin, Wenjun; Wang, Xuming; Bai, Jiayi; et al, Industrial & Engineering Chemistry Research, 2022, 61(44), 16402-16407

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参考文献:
Method for preparing diol compounds by hydrolyzing cyclic carbonates using ionic liquid as catalyst
, China, , ,

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参考文献:
Intensification of cyclohexanone purification stage from impurities in caprolactam production using phase transfer catalysis
Martynenko, E. A.; Glazko, I. L.; Levanova, S. V.; Portnova, Yu. V., Russian Journal of Applied Chemistry, 2014, 87(7), 899-903

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参考文献:
Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially
Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath, Inorganic Chemistry, 2016, 55(12), 5729-5731

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参考文献:
Erbium(III) triflate is a highly efficient catalyst for the synthesis of β-alkoxy alcohols, 1,2-diols and β-hydroxy sulfides by ring opening of epoxides
Dalpozzo, Renato; Nardi, Monica; Oliverio, Manuela; Paonessa, Rosina; Procopio, Antonio, Synthesis, 2009, (20), 3433-3438

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参考文献:
Ru subnanoparticles on N-doped carbon layer coated SBA-15 as efficient Catalysts for arene hydrogenation
Qian, Wei; Lin, Lina; Qiao, Yunxiang; Zhao, Xiuge; Xu, Zichen; et al, Applied Catalysis, 2019, 585,

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参考文献:
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参考文献:
Mild Organic Ammonium Tribromide-Mediated Regioselective Ring Opening of Epoxides with Alcohols, Water, Acetic Anhydride, and Amines Under Solvent-Free Reaction Conditions
Singhal, Sweety; Jain, Suman L.; Sain, Bir, Synthetic Communications, 2011, 41(12), 1829-1837

合成路线:1 步

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参考文献:
Process for preparation of 1,2-cyclohexanediol via hydrolysis of cyclohexene oxide in the presence of solid acid catalyst
, China, , ,

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反应条件:
参考文献:
Efficient catalytic racemization of secondary alcohols
Koh, Jeong Hwan; Jeong, Hyun Min; Park, Jaiwook, Tetrahedron Letters, 1998, 39(31), 5545-5548

合成路线:1 步

反应条件:
参考文献:
Bioinspired Nanoparticle-Assembly Route to a Hybrid Scaffold: Designing a Robust Heterogeneous Catalyst for Asymmetric Dihydroxylation of Olefins
Shilpa, Nagaraju; Manna, Joydeb; Rana, Rohit Kumar, European Journal of Inorganic Chemistry, 2015, 2015(29), 4965-4970

合成路线:1 步

反应条件:
参考文献:
Method for preparing 1,2-diol by oxidizing olefin under se-containing high polymer catalysis
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of cyclohexane-1,2-diol and alkyl-substituted cyclopentane-1,2-diol by the hydration of their corresponding oxides
Mekhtiev, S. D.; Musaev, M. R.; Guseinova, E. S.; Mamedov, F. M., Vopr. Neftekhim., 1977, 9, 35-9

合成路线:1 步

反应条件:
参考文献:
Chemoselective Oxidation of Alkenes by Metal-Organic Framework-Supported Copper Catalyst
Kalita, Rahul; Begum, Wahida; Gupta, Poorvi; Chauhan, Manav; Akhtar, Naved; et al, European Journal of Inorganic Chemistry, 2023, 26(25),

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参考文献:
High surface area biochar from Sargassum tenerrimum as potential catalyst support for selective phenol hydrogenation
Kumar, Adarsh; Kumar, Jitendra; Bhaskar, Thallada, Environmental Research, 2020, 186,

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参考文献:
High efficient hydrogenation of lignin-derived monophenols to cyclohexanols over Pd/γ-Al2O3 under mild conditions
Yi, Jian; Luo, Yiping; He, Ting; Jiang, Zhicheng; Li, Jianmei; et al, Catalysts, 2016, 6(1),

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参考文献:
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Gatling, Sterling C.; Jackson, James E., Journal of the American Chemical Society, 1999, 121(37), 8655-8656

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反应条件:
参考文献:
Investigation of the catalytic activity of an electron-deficient vanadium(IV) tetraphenylporphyrin: A new, highly efficient and reusable catalyst for ring-opening of epoxides
Taghavi, S. Abdolmanaf; Moghadam, Majid; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Mirkhani, Valiollah; et al, Polyhedron, 2011, 30(13), 2244-2252

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反应条件:
参考文献:
Facile and efficient hydrolysis of organic halides, epoxides, and esters with water catalyzed by ferric sulfate in a PEG1000-DAIL[BF4]/toluene temperature-dependent biphasic system
Hu, Yu Lin; Jiang, Hui; Zhu, Jie; Lu, Ming, New Journal of Chemistry, 2011, 35(2), 292-298
专业数据库参考
PubChemId 13601
参考资料
Reaxys RN 2036627
Beilstein 6,740
化合物详情(旧版)

SMILES

OC1C(O)CCCC1

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