≥95%(GC) 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C=CCO)O |
|---|---|
| IUPAC Name | (E)-but-2-ene-1,4-diol |
| InChIKey | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| INCHI | 1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+ |
| Isomeric SMILES | C(/C=C/CO)O |
| Molecular Weight | 88.11 |
| Beilstein | 1(4)2660 |
| Reaxy-Rn | 1735815 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735815&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 | Not available |
| Direct Parent | Primary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
| External Descriptors | Not available |
| Solubility | Solubility in water: Completely soluble; Very soluble in Ethanol,Acetone; Soluble in Methanol,Ether; Very slightly soluble in Benzene |
|---|---|
| Boil Point(°C) | 127°C/10mmHg(lit.) |
| Melt Point(°C) | 25°C(lit.) |
| Molecular Weight | 88.110 g/mol |
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 88.0524 Da |
| Monoisotopic Mass | 88.0524 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 34.800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jiadong Wang, Min Wang, Chenxin Xu, Yang Han, Xuan Qin, Liqun Zhang. (2023) Tailored Dynamic Viscoelasticity of Polyurethanes Based on Different Diols. Polymers, 15 (12): (2623). [PMID:37376269] [10.3390/polym15122623] |
| 2. Wangwang Tao, Jun Wang, Yu Zhou, Zhaoxia Liu, Hongxiang Chen, Zuyi Zhao, Hongye Yan, Xinghua Liao. (2022) Acid/reduction dual-sensitive amphiphilic graft polyurethane with folic acid and detachable poly(ethylene glycol) as anticancer drug delivery carrier. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:36549246] [10.1016/j.colsurfb.2022.113084] |
| 3. Yanyan Yu, Jinlong Fan, Guopeng Xu, Jie Zhang. (2024) Blends of polydimethylsiloxane-based polyurethane and poly (propylene glycol)-based polyurethane with co-continuous structures: Morphology evolution, synergistic effects and application in strain sensors. POLYMER, [PMID:] [10.1016/j.polymer.2024.127615] |
| 4. Zhaoxia Liu, Lili Zhao, Wangwang Tao, Rui Chen, Yu Zhou, Hongxiang Chen, Hongye Yan, Xinghua Liao. (2024) Multi-responsive co-assembled polyurethane nanomicelles as anticancer drug delivery carriers. JOURNAL OF APPLIED POLYMER SCIENCE, [PMID:] [10.1002/app.55858] |
| 5. Na Yang, Xingyuan Zhang, Juanqiong Ma, Liqing Ouyang, Zhiyong Xie, Pei Li, Xiao Lin, Qiongfeng Liao, Yanlong Chen. (2025) Synergistic integration of three-dimensional covalent organic frameworks and molecularly imprinted nanocavities for selective extraction of chiral 10-deacetylbacatin III. JOURNAL OF CHROMATOGRAPHY A, [PMID:40440919] [10.1016/j.chroma.2025.466072] |
| 6. Yun Fang, Yong Yan, Xiayan Wang, Guangsheng Guo. (2025) Bimetallic PdCu nanohybrid sheets for enhanced electrocatalytic selective semi-hydrogenation of alkynols. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.164620] |
| 7. Wangkai Xiang, Lingling Ni, Xing Zhang, Jing Li, Jian Zhou, Ying Zheng, Chengtao Yu, Bao Wang, Junfeng Liu, Pengju Pan. (2026) Isodimorphic-Like Crystallization and Mechanical Properties of Unsaturated Poly(butene succinate): Crucial Role of Cis/Trans Isomeric Contents. MACROMOLECULAR RAPID COMMUNICATIONS, [PMID:41508911] [10.1002/marc.202500947] |
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