≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756273 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756273 |
| Canonical Smiles | CC(C)C(C)(C#C)O |
| IUPAC Name | 3,4-dimethylpent-1-yn-3-ol |
| InChIKey | DZNLEQBXXLGELU-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3 |
| Isomeric SMILES | CC(C)C(C)(C#C)O |
| Molecular Weight | 112.17 |
| Beilstein | 1(4)2255 |
| Reaxy-Rn | 1739086 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739086&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 | Carbonyl compounds |
| Intermediate Tree Nodes | Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones |
| Direct Parent | Ynones |
| Alternative Parents | Tertiary alcohols Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ynone - Tertiary alcohol - Acetylide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H). |
| 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 |
|---|---|---|---|
 G2321742 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| G2321751 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| G2321756 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| G2321764 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| G2321789 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| G2321854 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| K2519041 | Certificate of Analysis | Jul 01, 2023 | D154148 |
| Solubility | Fully miscible in water. |
|---|---|
| Refractive Index | 1.44 |
| Boil Point(°C) | 133°C |
| Molecular Weight | 112.170 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 112.089 Da |
| Monoisotopic Mass | 112.089 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| 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 |
