1,2-Butanediol - ≥98%(GC) , CAS No.584-03-2

CAS: 584-03-2 Cat. No.: B153217 Molecular Weight: 90.12 Beilstein Registry Number: 969169 EC Number: 209-527-2

GRADE & PURITY ≥98%(GC)

Synonyms

1,2-(Dihydroxy)butane | alpha-Butylene glycol | DTXSID6040375 | RUN0H01QEU | 1,2-Butylene glycol | butane-1,2-diol | Butanediol, 1,2- | DL-1,2-Butanediol | NSC 24242 | 1,2-BUTANEDIOL | .alpha.-Butylene glycol | 1,2-Dihydroxybutane | alpha-Butyleneglycol |

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

1,2-Butanediol has been used: . to investigate dilatometric measurements of excess molar volumes and excess partial molar volumes for binary mixtures of N,N-dimethylformamide with 1,2-alkanediols . in the preparation of 1,2-diolates of titanium by reaction with titanium (IV) isopropoxide or titanium (IV) chloride

Specifications

Synonyms

1, 2-(Dihydroxy)butane | alpha-Butylene glycol | DTXSID6040375 | RUN0H01QEU | 1, 2-Butylene glycol | butane-1, 2-diol | Butanediol, 1, 2- | DL-1, 2-Butanediol | NSC 24242 | 1, 2-BUTANEDIOL | .alpha.-Butylene glycol | 1, 2-Dihydroxybutane | alpha-Butyleneglycol |

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181339
• 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
• WGK Germany: 2
• RTECS: EK0380000
• Alternate CAS: 26171-83-5
• Molecular Weight: 90.12
• Beilstein: 969169
• Reaxy-Rn: 969169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.44
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93 °C
• Boil Point(°C): 191-194℃/747 mmHg (lit.)
• 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

References

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]