212997

2-Phenyl-3-butyn-2-ol

≥98%

• Synonym(s): α-Ethynyl-α-methylbenzenemethanol, 2-Hydroxy-2-phenyl-3-butyne, 2-Phenyl-2-hydroxy-3-butyne, 3-Hydroxy-3-phenyl-1-butyne, 3-Phenyl-1-butyn-3-ol, 3-Phenylbutyn-3-ol, Ethynylmethylphenylcarbinol, Methylphenylethynylcarbinol
• Linear Formula: C₆H₅C(CH₃)(OH)C≡CH
• CAS Number: 127-66-2
• Molecular Weight: 146.19
• Beilstein: 1100096
• EC Number: 204-855-2
• MDL number: MFCD00004454
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852760
• NACRES: NA.22

Properties

• Assay: ≥98%
• form: solid
• bp: 102-103 °C/12 mmHg (lit.)
• mp: 47-49 °C (lit.)
• functional group: hydroxyl; phenyl
• SMILES string: CC(O)(C#C)c1ccccc1
• InChI: 1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
• InChI key: KSLSOBUAIFEGLT-UHFFFAOYSA-N

Description

Application

2-Phenyl-3-butyn-2-ol was used in the preparation of :

• (3-methyl-5-isoxazolyl)(phenyl)-methanol
• 1-(3-methyl-5-isoxazolyl)-1-phenyl-1-ethanol
• α-methylene cyclic carbonates via reaction with CO₂ catalyzed by transition metal salts in ionic liquid
• copper (II)-promoted cycloaddtion to azides leading to triazoles

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 204.8 °F - closed cup
• Flash Point(C): 96 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves