1-Phenylprop-2-yn-1-ol
Product Specifications
- CAS
- 4187-87-5
- MF
- C9H8O
- Appearance
- yellow liquid
- Synonym(s)
- 1-Phenyl-2-propyn-1-ol；(±)-1-Phenyl-2-propyn-1-ol；(±)-α-Ethynylbenzyl alcohol； (±)-3-Hydroxy-3-phenyl-1-propyne；1-Phenylpropargyl alcohol
- Shipping
- ambient temperature
- Storage
- 2-8°C
1-Phenylprop-2-yn-1-ol is PubChem’s IUPAC name for CID 20155 and is tied to CAS 4187-87-5. The verified molecular formula is C9H8O. Its structure is expressed as SMILES C#CC(C1=CC=CC=C1)O and InChIKey UIGLAZDLBZDVBL-UHFFFAOYSA-N. PubChem also titles the record alpha-ethynylbenzenemethanol, providing a database synonym for the same bonding pattern.
The carbinol carbon holds the hydroxy group, the phenyl ring, and a two-carbon ethynyl segment. Six carbons reside in the aromatic ring and three form the prop-2-yn-1-ol chain, yielding C9H8O. SMILES places the carbon-carbon triple bond between chain positions 2 and 3, while the phenyl group and oxygen meet at position 1. The record contains no disconnected ionic partner. Although the carbinol center has four different attachments, PubChem’s displayed SMILES and InChI contain no selected stereochemical configuration for this entry. The cited identity therefore must not be narrowed to either enantiomer.
Frame an inquiry to Rlavie with CAS 4187-87-5, the exact H1, and the requested quantity. Provide contact details plus any request-specific information that should accompany the structure comparison. A MOL or SDF structure file is helpful when the query originates from a drawing; pair it with CID 20155 or InChIKey UIGLAZDLBZDVBL-UHFFFAOYSA-N. These references confirm the terminal alkyne and phenyl-bearing alcohol connection. They also keep the unspecified stereochemical record distinct from a source that names one configuration explicitly.