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Basic Description
| Synonyms | AKOS024462638 | 1,4-Pentanediol, 99% | EN300-172378 | MFCD00004560 | DTXSID20870727 | GLOBUAZSRIOKLN-UHFFFAOYSA- | EINECS 210-973-5 | AI3-08028 | FT-0690903 | AS-30506 | SY239899 | InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3 | SCHEMBL50388 | Pentane-1, |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Product Description |
At 573K, 1, 4-pentadiol is dehydrated in an aqueous solution to produce a five-element ether, 2-methyltetrahydrofuran Application：
1, 4-pentaediol can be used to prepare poly (protoate)
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Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Alcohols and polyols
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Secondary alcohols |
| Alternative Parents | Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488185678 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185678 |
| IUPAC Name | pentane-1,4-diol |
| INCHI | InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3 |
| InChIKey | GLOBUAZSRIOKLN-UHFFFAOYSA-N |
| Smiles | CC(CCCO)O |
| Isomeric SMILES | CC(CCCO)O |
| WGK Germany | 3 |
| PubChem CID | 79083 |
| Molecular Weight | 104.15 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2511620 |
Certificate of Analysis | Feb 22, 2025 | P171240 |
| C2511623 |
Certificate of Analysis | Feb 22, 2025 | P171240 |
| C2511624 |
Certificate of Analysis | Feb 22, 2025 | P171240 |
| C2511625 |
Certificate of Analysis | Feb 22, 2025 | P171240 |
| J2009278 |
Certificate of Analysis | Jul 07, 2023 | P171240 |
| J2009277 |
Certificate of Analysis | Jul 07, 2023 | P171240 |
| G2317139 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317112 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317120 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317140 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317104 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317110 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317103 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| G2317113 |
Certificate of Analysis | Jul 01, 2023 | P171240 |
| H2203055 |
Certificate of Analysis | Nov 12, 2021 | P171240 |
| K2209102 |
Certificate of Analysis | Nov 12, 2021 | P171240 |
| K2109438 |
Certificate of Analysis | Nov 12, 2021 | P171240 |
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Chemical and Physical Properties
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.447 |
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | >113 °C |
| Boil Point(°C) | 72-73 °C/0.03 mmHg |
| Molecular Weight | 104.150 g/mol |
| XLogP3 | 0.000 |
| 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 |
Citations of This Product
| 1. Dongying Yan, Ruilin Feng, Yanlong Qi, Chenxi Bai. (2023) Highly Selective Production of Renewable 1,3-Pentadiene from 1,4-Pentanediol over an Acid–Base (K–Ce/ZrSi) Catalyst by Adjusting the Parallel-Reaction Pathway. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62 (9): (4164–4174). |
| 2. Hongxing Wang, Yueqing Wang, Long Huang, Anying Geng, Fengjiao Yi, Yulei Zhu, Yongwang Li. (2022) Continuous production of 1,4-pentanediol from ethyl levulinate and industrialized furfuryl alcohol over Cu-based catalysts. Sustainable Energy & Fuels, 6 (10): (2449-2461). |
| 3. Haijun Guo, Shuai Ding, Hairong Zhang, Can Wang, Fen Peng, Lian Xiong, Xinde Chen, Xinping Ouyang. (2021) Improvement on the catalytic performances of butyl levulinate hydrogenation to γ-valerolactone over self-regenerated CuNiCoB/Palygorskite catalyst. Molecular Catalysis, 504 (111483). |
| 4. Cui Kai, Qian Wei, Shao Zhengjiang, Zhao Xiuge, Gong Honghui, Wei Xinjia, Wang Jiajia, Chen Manyu, Cao Xiaoming, Hou Zhenshan. (2021) Ru Nanoparticles on a Sulfonated Carbon Layer Coated SBA-15 for Catalytic Hydrogenation of Furfural into 1, 4-pentanediol. CATALYSIS LETTERS, 151 (9): (2513-2526). |
| 5. 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, 40 (49): (25882-25891). |
| 6. Rui Kang, Dayi Guo, Xinyi Luo, Hui Pan. (2024) One-pot cascade conversion of ethyl levulinate to 1,4-pentanediol over CuZr/CoOx catalyst. APPLIED SURFACE SCIENCE, 656 (159681). |
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