| Sonrisas canónicas | C1C(OCC(O1)O)O |
|---|---|
| IUPAC Name | 1,4-dioxane-2,5-diol |
| InChIKey | ATFVTAOSZBVGHC-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2 |
| Isómeros SMILES | C1C(OCC(O1)O)O |
| WGK Alemania | 3 |
| Peso molecular | 120.1 |
| Beilstein | 506029 |
| Reaxy-Rn | 104399 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104399&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Dioxanes |
| Subclass | 1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-dioxanes |
| Alternative Parents | Hemiacetals Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Para-dioxane - Hemiacetal - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. |
| External Descriptors | Not available |
| Peso molecular | 120.100 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.042 Da |
| Monoisotopic Mass | 120.042 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 64.400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Qiying Liu, Haiyong Wang, Haosheng Xin, Chenguang Wang, Long Yan, Yingxiong Wang, Qi Zhang, Xinghua Zhang, Ying Xu, George W. Huber, Longlong Ma. (2019) Selective Cellulose Hydrogenolysis to Ethanol Using Ni@C Combined with Phosphoric Acid Catalysts. ChemSusChem, 12 (17): (3977-3987). [PMID:31225696] [10.1002/cssc.201901110] |
| 2. Muge Niu, Yucui Hou, Weize Wu, Shuhang Ren, Ru Yang. (2018) Successive C1–C2 bond cleavage: the mechanism of vanadium(V)-catalyzed aerobic oxidation of D-glucose to formic acid in aqueous solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20 (26): (17942-17951). [PMID:29926044] [10.1039/C8CP02352B] |
| 3. Likun Luan, Yingfang Zhang, Xiuling Ji, Boxia Guo, Shaoyu Song, Yuhong Huang, Suojiang Zhang. (2024) Electro-Driven Multi-Enzymatic Cascade Conversion of CO2 to Ethylene Glycol in Nano-Reactor. Advanced Science, [PMID:39231322] [10.1002/advs.202407204] |
| 4. Kaixin Jin, Xiao Lu, Zhouwen Li, Guangmai Zhao, Wanpeng Li, Xuewei Zhang, Haiyong Wang, Junzhang Wu, Xiaobin Xie, Li Zhao, Tianhan Zhu, Yuhe Liao, Chenguang Wang, Dalei Zhang. (2025) Catalytic Aqueous Phase Conversion of Cellulose to Ethanol over Multifunctional Pt/WOX/SiO2 Catalysts. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.5c00206] |
| 5. Yang Yang, Jiafu Shi, Yu Chen, Shihao Li, Han Wang, Wenping Li, Shusong Liu, Xinyu Mao, Hong Wu, Zhongyi Jiang. (2025) Bifunctional COF-templated synthesis of immobilized enzyme catalysts for efficient bioconversion. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2025.121717] |
| 6. Kong Linghong, Wang Hui, Jiang Weiwei, Chen Yun, Du Zhuoling, Zhang Qiong, Dong Jianyue, Zeng Changchun, Liu Hanping. (2025) Network pharmacology-based study in polymetformin’s new function of blocking ages/rage pathway curing diabetic complications. Scientific Reports, 15 (1): (1-11). [PMID:40467581] [10.1038/s41598-025-00956-w] |
| 7. Tingting Ge, Xiaorui Liu, Ziyan Jia, Chao Liu, Jiahui Huang. (2025) Support composition engineering of gold catalysts for efficient oxidative esterification of ethylene glycol. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2025.115522] |
| 8. Jing Su, Tan Li, Xin Liu, Qihui Song, Jianmeng Cen, Zhongyang Luo, Kaige Wang. (2026) Electronic structure tailoring via P-ligation in CoP nanoflowers drives bifunctional electrocatalysis for plastic waste valorization and hydrogen evolution. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2026.172721] |
| 9. Chen-Xi Li, Qian Ren, Feng Peng, Ming-Fei Li. (2026) Lignin-tailored synergistic catalyst with cobalt single-atom and zinc clusters dual-site for conversion of hemicellulose to lactic acid. BIORESOURCE TECHNOLOGY, [PMID:] [10.1016/j.biortech.2026.134908] |
