≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
It is an important raw material and intermediate used in organic synthesis, agrochemical, pharmaceutical and dyestuff field.
| Pubchem Sid | 488181411 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181411 |
| Canonical Smiles | CC(C=C)O |
| IUPAC Name | but-3-en-2-ol |
| InChIKey | MKUWVMRNQOOSAT-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3 |
| Isomeric SMILES | CC(C=C)O |
| WGK Germany | 3 |
| RTECS | EM9275050 |
| Molecular Weight | 72.11 |
| Reaxy-Rn | 1361410 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361410&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 | Secondary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2222531 | Certificate of Analysis | Jun 10, 2026 | B152755 |
| K2222532 | Certificate of Analysis | Jun 10, 2026 | B152755 |
| K2222533 | Certificate of Analysis | Jun 10, 2026 | B152755 |
| H2422136 | Certificate of Analysis | Jun 09, 2026 | B152755 |
| I2016217 | Certificate of Analysis | Jan 26, 2026 | B152755 |
| I2320064 | Certificate of Analysis | Jul 10, 2025 | B152755 |
| I2320066 | Certificate of Analysis | Jul 10, 2025 | B152755 |
| A2213414 | Certificate of Analysis | Jul 10, 2025 | B152755 |
| A2213466 | Certificate of Analysis | Jul 10, 2025 | B152755 |
| A2214010 | Certificate of Analysis | Jul 10, 2025 | B152755 |
| C2317095 | Certificate of Analysis | Jan 09, 2025 | B152755 |
| C2317093 | Certificate of Analysis | Jan 09, 2025 | B152755 |
| H2422137 | Certificate of Analysis | Jul 01, 2024 | B152755 |
| H2422138 | Certificate of Analysis | Jul 01, 2024 | B152755 |
| I2114041 | Certificate of Analysis | Jun 16, 2023 | B152755 |
| I2016216 | Certificate of Analysis | Jul 20, 2022 | B152755 |
| Solubility | Fully miscible with water. |
|---|---|
| Sensitivity | air sensitive |
| Refractive Index | 1.415 |
| Flash Point(°F) | 60.8 °F |
| Flash Point(°C) | 16°C |
| Boil Point(°C) | 100°C |
| Molecular Weight | 72.110 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 72.0575 Da |
| Monoisotopic Mass | 72.0575 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 32.600 |
| 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. Shijie Hou, Yong Jian Zhang, Pingkai Jiang. (2018) Synergistic effects of synthetic phosphonium sulfonates with expandable graphite on flame retardancy for EVA rubber blends. POLYMER DEGRADATION AND STABILITY, [PMID:] [10.1016/j.polymdegradstab.2018.04.027] |
| 2. Shijie Hou, Yong Jian Zhang, Pingkai Jiang. (2016) Phosphonium sulfonates as flame retardants for polycarbonate. POLYMER DEGRADATION AND STABILITY, [PMID:] [10.1016/j.polymdegradstab.2016.06.004] |
| 3. Hu Lin, Tong Shengrui, Xu Yanyong, Zhang Hailiang, Yu Shanshan, Chen Meifang, Ge Maofa. (2024) Reaction Kinetics and Secondary Organic Aerosol Composition Analysis of 2-Cyclohexen-1-one with NO3 Radicals. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 40 (4): (730-736). [PMID:] [10.1007/s40242-024-4119-0] |
