≥98% 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C#C)(C1=CC=CC=C1)O |
|---|---|
| IUPAC Name | 2-phenylbut-3-yn-2-ol |
| InChIKey | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3 |
| Isomeric SMILES | CC(C#C)(C1=CC=CC=C1)O |
| WGK Germany | 3 |
| RTECS | ES0840000 |
| Molecular Weight | 146.19 |
| Beilstein | 1100096 |
| Reaxy-Rn | 1100096 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100096&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 | Ynones Tertiary alcohols Acetylides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Ynone - Monocyclic benzene moiety - Tertiary alcohol - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Aromatic 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 |
|---|---|---|---|
 E2204053 | Certificate of Analysis | Oct 29, 2025 | P111201 |
| D2514010 | Certificate of Analysis | Apr 28, 2025 | P111201 |
| D2515015 | Certificate of Analysis | Apr 28, 2025 | P111201 |
| H2508808 | Certificate of Analysis | Apr 28, 2025 | P111201 |
| K2425006 | Certificate of Analysis | Nov 27, 2024 | P111201 |
| E2204045 | Certificate of Analysis | Feb 23, 2024 | P111201 |
| E2204054 | Certificate of Analysis | Feb 23, 2024 | P111201 |
| D1916187 | Certificate of Analysis | Nov 11, 2022 | P111201 |
| C2308404 | Certificate of Analysis | Mar 02, 2022 | P111201 |
| Flash Point(°F) | 204.8 °F |
|---|---|
| Flash Point(°C) | 96℃ |
| Boil Point(°C) | 102-103°C |
| Melt Point(°C) | 46-51°C |
| Molecular Weight | 146.190 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.073 Da |
| Monoisotopic Mass | 146.073 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
| 1. Linfeng Cai, Jianfeng Fan, Shengchang Ding, Dongyi He, Xiangliang Zeng, Rong Sun, Linlin Ren, Jianbin Xu, Xiaoliang Zeng. (2022) Soft Composite Gels with High Toughness and Low Thermal Resistance through Lengthening Polymer Strands and Controlling Filler. ADVANCED FUNCTIONAL MATERIALS, 33 (2): (2207143). [PMID:] [10.1002/adfm.202207143] |
| 2. Ziyue Hu, Weijian Wu, Xiang Chen, Yuanzhou Chen, Junlin Chen, Zhifeng Hao. (2022) Flexible thermal conductive Al2O3@siloxane composite with rapid self-healing property based on carboxyl-amine dynamic reversible bonds. RSC Advances, 12 (11): (6649-6658). [PMID:35424607] [10.1039/D1RA09367C] |
| 3. Qinghua Hu, Xue Bai, Chenxu Zhang, Xiaoliang Zeng, Zhengyong Huang, Jian Li, Junwei Li, Yuexing Zhang. (2021) Oriented BN/Silicone rubber composite thermal interface materials with high out-of-plane thermal conductivity and flexibility. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, [PMID:] [10.1016/j.compositesa.2021.106681] |
| 4. Xiangchao Xie, Yunsong Pang, Shipeng Rao, Chen Zeng, Leicong Zhang, Chenxu Zhang, Shifeng Guo, Jianbin Xu, Xiaoliang Zeng, Rong Sun. (2024) Thermal Interface Materials with High Adhesion and Enhanced Thermal Conductivity via Optimization of Polydimethylsiloxane Networks and Aluminum Fillers. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.4c02396] |
