≥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.
| Canonical Smiles | C1=CC=C(C=C1)C#CCO |
|---|---|
| IUPAC Name | 3-phenylprop-2-yn-1-ol |
| InChIKey | NITUNGCLDSFVDL-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C#CCO |
| WGK Germany | 3 |
| Molecular Weight | 132.16 |
| Reaxy-Rn | 2040911 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040911&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 J2129107 | Certificate of Analysis | Aug 13, 2024 | P111395 |
| E2019060 | Certificate of Analysis | Apr 13, 2022 | P111395 |
| A2517113 | Certificate of Analysis | Nov 03, 2021 | P111395 |
| D2315327 | Certificate of Analysis | Nov 03, 2021 | P111395 |
| J2129108 | Certificate of Analysis | Nov 03, 2021 | P111395 |
| J2310178 | Certificate of Analysis | Nov 03, 2021 | P111395 |
| J2325066 | Certificate of Analysis | Nov 03, 2021 | P111395 |
| Refractive Index | 1.585 |
|---|---|
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 129-130°C |
| Molecular Weight | 132.160 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 132.058 Da |
| Monoisotopic Mass | 132.058 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 143.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
