≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752120 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752120 |
| Canonical Smiles | CCC(CO)O |
| IUPAC Name | butane-1,2-diol |
| InChIKey | BMRWNKZVCUKKSR-UHFFFAOYSA-N |
| INCHI | 1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
| Isomeric SMILES | CCC(CO)O |
| Molecular Weight | 90.12 |
| Reaxy-Rn | 969169 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969169&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Polyols |
| Direct Parent | 1,2-diols |
| Alternative Parents | Secondary alcohols Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. |
| External Descriptors | a small molecule |
| Molecular Weight | 90.120 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 90.0681 Da |
| Monoisotopic Mass | 90.0681 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 28.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Chen Lezi. (2023) Stabilization of Zn anodes via a butanediol additive. JOURNAL OF SOLID STATE ELECTROCHEMISTRY, [PMID:] [10.1007/s10008-023-05703-7] |
| 2. Xiaoyu Wang, Yuqi Wang, Yuan Kang, Bing Yao, Xinsheng Peng. (2023) Deep eutectic solvent-infused two-dimensional metal–organic framework membranes as quasi-solid-state electrolytes for wearable micro-supercapacitors. Nanoscale, 15 (38): (15626-15634). [PMID:37721154] [10.1039/D3NR03464J] |
| 3. Fengqin Guo, Liguo Wang, Yan Cao, Peng He, Huiquan Li. (2023) Efficient synthesis of ethylene carbonate via transesterification of ethylene glycol with dimethyl carbonate over Mg3Al1−xCexO composite oxide. APPLIED CATALYSIS A-GENERAL, [PMID:] [10.1016/j.apcata.2023.119273] |
| 4. De Bai, Fan Hu, Huixian Xu, Jiahong Huang, Chengyu Wu, Jiaheng Zhang, Rui Ye. (2023) High Stability and Low Irritation of Retinol Propionate and Hydroxypinacolone Retinoate Supramolecular Nanoparticles with Effective Anti-Wrinkle Efficacy. Pharmaceutics, 15 (3): (731). [PMID:36986592] [10.3390/pharmaceutics15030731] |
| 5. Zhouyu Jiang, Yang Cong, Xiaoxuan Li, Jiale Xu, Mingliang Wang. (2023) Application of sodium bicarbonate abrasive jet technology for PCB desmear process: Conditions and simulation. Journal of Cleaner Production, [PMID:] [10.1016/j.jclepro.2023.136584] |
| 6. Shuang Luo, Jingwei Li, Jiansu Ran, Ruixue Yangcheng, Yuntong Cui, Yuxin Zhang, Jianjian Wang. (2023) Significant promotion of MgOy in bifunctional Pt-WOx-MgOy catalysts for the chemoselective conversion of glucose to lower polyols. CATALYSIS COMMUNICATIONS, [PMID:] [10.1016/j.catcom.2023.106614] |
| 7. Li Hua Xu, Di Wu, Min Zhong, Guo Bing Wang, Xiang Ying Chen, Zhong Jie Zhang. (2021) The construction of a new deep eutectic solvents system based on choline chloride and butanediol: The influence of the hydroxyl position of butanediol on the structure of deep eutectic solvent and supercapacitor performance. JOURNAL OF POWER SOURCES, [PMID:] [10.1016/j.jpowsour.2020.229365] |
| 8. Xiao-Hong Fan, Li-Tao Wang, Yuan-Hang Chang, Juan-Yan An, Ya-Wei Zhu, Qing Yang, Dong Meng, Yu-jie Fu. (2020) Application of green and recyclable menthol-based hydrophobic deep eutectic solvents aqueous for the extraction of main taxanes from Taxus chinensis needles. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2020.114970] |
| 9. Jiaqin Wang, Yanying Zhou, Man Wang, Wentao Bi, Hongli Li, David Da Yong Chen. (2018) High-Throughput Analysis for Artemisinins with Deep Eutectic Solvents Mechanochemical Extraction and Direct Analysis in Real Time Mass Spectrometry. ANALYTICAL CHEMISTRY, [PMID:29381342] [10.1021/acs.analchem.7b04060] |
| 10. Mingjun Tang, Min Ling, Wenjing Ma, Wenqian Sheng, Wenjun Yan. (2025) The Elucidation of the Critical Role of HLB value in Microemulsions Formulation. ChemNanoMat, [PMID:] [10.1002/cnma.202400554] |
| 11. Ma Yangbo, Guo Liang, Chang Liang, Guo Weihua, Zhou Tao, Hao Fengkun, Su Wenda, Zhou Jingwen, Wang Guozhi, Shao Mingzheng, Yu Jihan, Yin Jinwen, Wang Yunhao, Liu Fu, Zhang An, Qian Kun, Wang Jie, Zhang Xiuyun, Zhou Weijia, Chu Shengqi, Ling Chongyi, Gan Lin, Guo Zhengxiao, Fan Zhanxi. (2025) Unconventional phase metal heteronanostructures with tunable exposed interface for efficient tandem nitrate electroreduction to ammonia. Nature Communications, 16 (1): (1-14). [PMID:40819170] [10.1038/s41467-025-63013-0] |
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