≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Describtion:
3,4-dihydroxy-1-butene, also known as 3-butene-1,2-diol (BDdiol), is a metabolite of 1,3-butadiene. It forms precursors for synthesizing different chiral structural units. BDdiol undergoes oxidation to form hydroxymethyl vinyl ketone (HMVK). In the presence of epoxide hydrolase (EH), 1,2-epoxy-3-butene (EB) is hydrolyzed to form BDdiol
Product Application:
Using 3,4-dihydroxy-1-butene:
1、Used as a reactant to synthesize cyclic organic carbonates through a continuous flow process。
2、Preparation of substituted oxazolidinone ligands for targeted drug related RNA.
| Canonical Smiles | C=CC(CO)O |
|---|---|
| IUPAC Name | but-3-ene-1,2-diol |
| InChIKey | ITMIAZBRRZANGB-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2 |
| Isomeric SMILES | C=CC(CO)O |
| WGK Germany | 3 |
| Alternate CAS | 86161-40-2 |
| Molecular Weight | 88.11 |
| Beilstein | 1633580 |
| Reaxy-Rn | 1633578 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633578&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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2507272 | Certificate of Analysis | May 15, 2025 | B589259 |
| H2507273 | Certificate of Analysis | May 15, 2025 | B589259 |
| H2507274 | Certificate of Analysis | May 15, 2025 | B589259 |
| J2410519 | Certificate of Analysis | Sep 12, 2024 | B589259 |
| J2410520 | Certificate of Analysis | Sep 12, 2024 | B589259 |
| J2410522 | Certificate of Analysis | Sep 12, 2024 | B589259 |
| E2429228 | Certificate of Analysis | May 20, 2024 | B589259 |
| E2429229 | Certificate of Analysis | May 20, 2024 | B589259 |
| E2429230 | Certificate of Analysis | May 20, 2024 | B589259 |
| I2321374 | Certificate of Analysis | Aug 25, 2023 | B589259 |
| I2321375 | Certificate of Analysis | Aug 25, 2023 | B589259 |
| I2321416 | Certificate of Analysis | Aug 25, 2023 | B589259 |
| Flash Point(°F) | 186.8 °F |
|---|---|
| Flash Point(°C) | 86 °C |
| Boil Point(°C) | 195°C/733 mmHg |
| Molecular Weight | 88.110 g/mol |
| XLogP3 | -0.500 |
| 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 | 42.800 |
| 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. Wu Shi-Long, Yang Huan-Huan, Chen Quan. (2024) Linear Viscoelasticity of ABA-type Vitrimer Based on Dioxaborolane Metathesis. CHINESE JOURNAL OF POLYMER SCIENCE, 42 (10): (1495-1504). [PMID:] [10.1007/s10118-024-3184-7] |
