1,2-Pentanediol - ≥98% , CAS No.5343-92-0

CAS: 5343-92-0 Cat. No.: P108068 Molecular Weight: 104.15 Beilstein Registry Number: 1(4)2538 EC Number: 226-285-3

GRADE & PURITY ≥98%

Synonyms

(+/-)-1,2-PENTANEDIOL | FT-0606477 | UNII-50C1307PZG | NSC 513 | PENTYLENE GLYCOL [WHO-DD] | P1178 | EC 226-285-3 | 1,2-Pentanediol | InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3 | N-Arachidoyl-D-sphingosine | 50C1307PZG | DTXSID10863522 | FT-0690841 |

Storage

Room temperature

Shipped In

Normal

Overview

1,2-Pentanediol belongs to the class of diol monomers commonly used in the preparation of various polymers including polyesters and polyurethanes. These polymers are used in packaging, engineering plastic, textiles, cosmetics, detergents, lubricants, optical films, polyester resins, polyurethane foams, inks, adhesives, and sealants due to their desirable properties such as flexibility, durability, chemical resistance, and thermal insulation properties. 1,2-Pentanediol also finds diverse applications, serving as an organic solvent, plasticizer, surfactant, and reactant in the synthesis of various compounds.

Specifications

Synonyms

(+/-)-1, 2-PENTANEDIOL | FT-0606477 | UNII-50C1307PZG | NSC 513 | PENTYLENE GLYCOL [WHO-DD] | P1178 | EC 226-285-3 | 1, 2-Pentanediol | InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H, 2-4H2, 1H3 | N-Arachidoyl-D-sphingosine | 50C1307PZG | DTXSID10863522 | FT-0690841 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186755
• Canonical Smiles: CCCC(CO)O
• IUPAC Name: pentane-1,2-diol
• InChIKey: WCVRQHFDJLLWFE-UHFFFAOYSA-N
• INCHI: 1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3
• Isomeric SMILES: CCCC(CO)O
• WGK Germany: 1
• RTECS: SA0455000
• Molecular Weight: 104.15
• Beilstein: 1(4)2538
• Reaxy-Rn: 1719151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719151&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: Not available

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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.439
• Flash Point(°F): 230.0°F
• Flash Point(°C): 105 °C
• Boil Point(°C): 206 °C
• Molecular Weight: 104.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.100
• 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. Rongrong Li, Wenqi Liu, Huibin Liu, Hongyu Niu, Quan Zhou, Changhai Liang, Xiao Chen.  (2023)  Dual Active Sites of Ni and FeNi3 Constructed from Layered Double Hydroxides for One-Pot Hydrogenation of Furfural to Tetrahydrofurfuryl Alcohol.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c03481]

2. Chen-Yan Zheng, Hai-Long Qian, Cheng Yang, Xu-Qin Ran, Xiu-Ping Yan.  (2023)  Pure Covalent-Organic Framework Membrane as a Label-Free Biomimetic Nanochannel for Sensitive and Selective Sensing of Chiral Flavor Substances.  ACS Sensors,      [PMID:38054443] [10.1021/acssensors.3c01849]

3. Yong Nie, Rui Zhang, Sha Li, Wei Xia, Jiangya Ma.  (2023)  Removal of Microcystis aeruginosa and its extracellular organic matters by using covalently bonded coagulant: An alternative choice in enhanced coagulation for algae-polluted water treatment.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.138337]

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. Yang Jian, Li Xuemei, Zhang Jia, Tian Junying, Yao Xiaolan, Liu Hailong, Xia Chungu, Huang Zhiwei.  (2022)  Reductive Amination of Biomass-Derived 2-Hydroxytetrahydropyran into 5-Amino-1-Pentanol Over Hydroxylapatite Nanorod Supported Ni Catalysts.  CATALYSIS LETTERS,  153  (9): (2813-2823).  [PMID:] [10.1007/s10562-022-04201-1]

6. Jiawei Wang, Yan Yang, Yingyu Wang, Shuai Dong, Liwei Cheng, Yanmei Li, Zhenya Wang, Levent Trabzon, Hua Wang.  (2022)  Working Aqueous Zn Metal Batteries at 100 °C.  ACS Nano,      [PMID:36066564] [10.1021/acsnano.2c04114]

7. Xiao Chen, Wenqi Liu, Jingjie Luo, Hongyu Niu, Rongrong Li, Changhai Liang.  (2022)  Structure Evolution of Ni–Cu Bimetallic Catalysts Derived from Layered Double Hydroxides for Selective Hydrogenation of Furfural to Tetrahydrofurfuryl Alcohol.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c01624]

8. Sun Liangyun, Han Juan, Tang Chaofan, Wu Jiacong, Fang Sihan, Li Yuanyuan, Mao Yanli, Wang Lei, Wang Yun.  (2022)  Choline chloride-based deep eutectic solvent system as a pretreatment for microcrystalline cellulose.  CELLULOSE,  29  (15): (8133-8150).  [PMID:] [10.1007/s10570-022-04771-8]

9. Yuewen Shao, Jie Wu, Zhiyuan Zheng, Mengjiao Fan, Kai Sun, Félix Mérimé Bkangmo Kontchouo, Lijun Zhang, Shu Zhang, Guangzhi Hu, Xun Hu.  (2022)  Alloying cobalt in Co–Fe–Al catalyst for achieving the selective conversion of furfural to cyclopentanone.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2022.06.068]

10. Xuemei Li, Junying Tian, Hailong Liu, Xun Hu, Jia Zhang, Chungu Xia, Jing Chen, Haichao Liu, Zhiwei Huang.  (2020)  Efficient Synthesis of 5-Amino-1-pentanol from Biomass-Derived Dihydropyran over Hydrotalcite-Based Ni–Mg3AlOx Catalysts.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.0c00394]

11. Xuemei Li, Junying Tian, Hailong Liu, Congkui Tang, Chungu Xia, Jing Chen, Zhiwei Huang.  (2020)  Effective synthesis of 5-amino-1-pentanol by reductive amination of biomass-derived 2-hydroxytetrahydropyran over supported Ni catalysts.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(19)63471-6]

12. Haotian Liu, Tingting Hu, Dan Wang, Jie Shi, Jianjun Zhang, Jie-Xin Wang, Yuan Pu, Jian-Feng Chen.  (2018)  Preparation of fluorescent waterborne polyurethane nanodispersion by high-gravity miniemulsion polymerization for multifunctional applications.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2018.12.012]

13. Chuhong Zhu, Xiaoye Hu, Xiujuan Wang.  (2018)  Silver nanocubes/graphene oxide hybrid film on a hydrophobic surface for effective molecule concentration and sensitive SERS detection.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2018.11.169]

14. Chuhong Zhu, Xiujuan Wang, Xiaofei Shi, Feng Yang, Guowen Meng, Qizhong Xiong, Yan Ke, Hua Wang, Yilin Lu, Nianqiang Wu.  (2017)  Detection of Dithiocarbamate Pesticides with a Spongelike Surface-Enhanced Raman Scattering Substrate Made of Reduced Graphene Oxide-Wrapped Silver Nanocubes.  ACS Applied Materials & Interfaces,      [PMID:29058868] [10.1021/acsami.7b13479]

15. Zhijie Wu, Min Zhang, Yirong Yao, Jingtuo Wang, Danhong Wang, Minghui Zhang, Yongfeng Li.  (2017)  One-pot catalytic production of 1, 3-propanediol and γ-valerolactone from glycerol and levulinic acid.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2017.02.035]

16. Yan Ke, Guowen Meng, Zhulin Huang, Ningning Zhou.  (2016)  Electrosprayed large-area membranes of Ag-nanocubes embedded in cellulose acetate microspheres as homogeneous SERS substrates.  Journal of Materials Chemistry C,  5  (6): (1402-1408).  [PMID:] [10.1039/C6TC04579K]

17. Ningning Zhou, Guowen Meng, Zhulin Huang, Yan Ke, Qitao Zhou, Xiaoye Hu.  (2016)  A flexible transparent Ag-NC@PE film as a cut-and-paste SERS substrate for rapid in situ detection of organic pollutants.  ANALYST,  141  (20): (5864-5869).  [PMID:27603329] [10.1039/C6AN00807K]

18. Ye Liu, Zhulin Huang, Fei Zhou, Xing Lei, Bo Yao, Guowen Meng, Qinghe Mao.  (2016)  Highly sensitive fibre surface-enhanced Raman scattering probes fabricated using laser-induced self-assembly in a meniscus.  Nanoscale,  8  (20): (10607-10614).  [PMID:26780542] [10.1039/C5NR06773A]

19. Zhulin Huang, Xing Lei, Ye Liu, Zhiwei Wang, Xiujuan Wang, Zhaoming Wang, Qinghe Mao, Guowen Meng.  (2015)  Tapered Optical Fiber Probe Assembled with Plasmonic Nanostructures for Surface-Enhanced Raman Scattering Application.  ACS Applied Materials & Interfaces,      [PMID:26186260] [10.1021/acsami.5b04202]

20. Bin Xiao, Mingyuan Zheng, Jifeng Pang, Yu Jiang, Hua Wang, Ruiyan Sun, Aiqin Wang, Xiaodong Wang, Tao Zhang.  (2015)  Synthesis and Characterization of Poly(ethylene terephthalate) from Biomass-Based Ethylene Glycol: Effects of Miscellaneous Diols.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5b00487]

21. Huang Zhulin, Meng Guowen, Huang Qing, Chen Bin, Zhou Fei, Hu Xiaoye, Qian Yiwu, Tang Haibin, Han Fangming, Chu Zhaoqin.  (2014)  Polyacrylic acid sodium salt film entrapped Ag-nanocubes as molecule traps for SERS detection.  Nano Research,  7  (8): (1177-1187).  [PMID:] [10.1007/s12274-014-0480-5]

22. Zixin Zhong, Yingdan Ye, Yibin Zhang, Weichen Du, Zhaoyin Hou.  (2024)  Alkali-Free Oxidation of 1,2-Propanediol to Lactic Acid over Intermetallic Cu1Pt Compounds.  LANGMUIR,      [PMID:39588808] [10.1021/acs.langmuir.4c03138]

23. Yingying Sheng, Fuping Tian, Xiang Wang, Ningyuan Jiang, Xinchi Zhang, Xiao Chen, Changhai Liang, Anjie Wang.  (2024)  Carbon-encapsulated Ni catalysts derived from citrate complexes for highly efficient hydrogenation of furfural to tetrahydrofurfuryl alcohol.  ENERGY,      [PMID:] [10.1016/j.energy.2024.130360]

24. Jiayu Zhang, Haiyan Qi, Tonghui Yi, Tao Jing, Ming Zhao, Jun Li, Maoxia Ran, Xiaochen Zhu, Chao Luo.  (2024)  Development of a highly sensitive ultra-small ratiometric fluorescence nanosphere probe for Sunset Yellow detection.  TALANTA,      [PMID:38823329] [10.1016/j.talanta.2024.126341]

25. Ye Tian, Wenlong Xie, Zihao Yang, Zhendong Yu, Renjie Huang, Lin Luo, Miao Zuo, Zheng Li, Lu Lin, Xianhai Zeng.  (2024)  Efficient and selective upgrading of biomass-derived furfural into 1,5 pentanediol by Co2+ etched ZIF-8 derived ZnCo layered double hydroxides nanoflake.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152669]

26. Kang Zhou, Yongsheng Zhang, Mengyuan Zhang, Armin Rezayan, Zhen Quan, Dandan Han, Jianshe Wang, Dan Wu, Chunbao Xu.  (2024)  Highly efficient conversion of biomass-derived furanic compounds into alkyl diols by selective hydrogenolysis using non-noble metal catalysts with tunable surface oxygen vacancies.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152347]

27. De Bai, Haowei Chen, Nanxi Xiang, Chunqiao Zhang, Zhenyuan Wang, Jichuan Zhang, Chengyu Wu, Fang Wang, Jiaheng Zhang.  (2024)  Ionic liquid combined with cationic liposome co-delivers microphthalmia-associated transcription factor small interfering RNA to regulate melanogenesis.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39332571] [10.1016/j.ijbiomac.2024.136027]

28. Wanling Chen, Nanxi Xiang, Jiahong Huang, Huixian Xu, Zhenyuan Wang, Bo Ruan, Jichuan Zhang, Chengyu Wu, Jiaheng Zhang, YanZhen Liang.  (2024)  Supramolecular collagen nanoparticles for anti-wrinkle, skin whitening, and moisturizing effects.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:39383579] [10.1016/j.colsurfb.2024.114275]

29. Shenyu Wang, Junjie Zhang, Ying Zhang.  (2024)  Trace Iron-Modified CeO₂-Supported Core-Shell CoO@Co Catalyst for Selective Conversion of Furfural to 1,5-Pentanediol.  ChemSusChem,      [PMID:39499740] [10.1002/cssc.202401938]

30. Fan Li, Wenhan Li, Quanxing Zhang, Lianlian Song, Dongpei Zhang, Yuanyuan Ren, Honghong Shi, Wenjuan Yan, Xin Jin, Chaohe Yang.  (2025)  Aqueous Oxidation of 1,5-Pentanediol to Glutaric Acid Over Pt-Based Catalysts in a Base-Free Medium.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c02159]

31. Bo Yang, Shuang Liang, Hongtao Han, Yuesheng Majia, Jiaheng Zhang, Gang Zhao, Chengyu Wu.  (2025)  Deep eutectic solvent nanoparticles for enhanced hyaluronic acid intradermal delivery: Anti-aging and moisturizing effects.  Materialia,      [PMID:] [10.1016/j.mtla.2025.102548]

32. Huixian Xu, Rui Ye, Ye Zhong, Wanling Chen, Jichuan Zhang, Zhenyuan Wang, Le Du, Fan Hu, Chengyu Wu, Jiaheng Zhang.  (2025)  Retinoid-loaded ionic liquid nanoparticles: Decreased irritation, enhanced transdermal delivery and synergistic anti-wrinkle.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2025.102735]

33. Yang Li, Jian Zhang, Wei Zhang, Chang Zhou, Jianbin Huang, Zerui Su, Ziyuan Qiao, Xiaoyuan Qin, Pei Xiong, Feng-Shou Xiao.  (2025)  Carbothermal Shock Synthesis of a PtCoCe Ternary Oxide Catalyst for Selective Hydrogenolysis of Furfural to 1,5-Pentanediol.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c00333]

34. Chengcheng Suo, Xiaochang Zhang, Xinai Li, Jifang Zhang, Hongru Zhang, Rui Teng, Wei Li, Sha Luo, Bing Tian, Qingjiang Pan, Chunhui Ma, Zhijun Chen, Shouxin Liu.  (2025)  Photocatalytic biorefining green closed-loop: Photocatalytic alkali lignin depolymerization in supramolecular solvent.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.117642]

35. Fengqin Guo, Jiajun Zhang, Xiang Hui, Yan Cao, Peng He, Huiquan Li, Liguo Wang.  (2025)  Modulating the selective adsorption of biobased diol carbon-oxygen bonds for the synthesis of cyclic carbonates.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2025.120417]

36. Zhiyun Xu, Mengyuan Zhang, Wentao Zhang, Dandan Han, Yongsheng Zhang, Tianliang Lu, Renfeng Nie, Xiaoqin Si, Chunbao Xu, Dan Wu, Jianshe Wang.  (2026)  Iodine-Modified Pt Nanoparticle Catalysts for the Selective Ring-Opening Hydrogenolysis of Furfuryl Alcohol to 1,2-Pentanediol.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.5c04924]