129763

2-Methyl-3-butyn-2-ol

98%

• Synonym(s): Dimethyl ethynyl carbinol
• Linear Formula: HC≡CC(CH₃)₂OH
• CAS Number: 115-19-5
• Molecular Weight: 84.12
• Beilstein: 635746
• EC Number: 204-070-5
• MDL number: MFCD00004467
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847925
• NACRES: NA.22

Properties

• vapor pressure: 15 mmHg ( 20 °C)
• Quality Level: 200
• Assay: 98%
• form: liquid
• autoignition temp.: 662 °F
• expl. lim.: 16.6 %
• refractive index: n20/D 1.42 (lit.)
• bp: 104 °C (lit.)
• mp: 2.6 °C (lit.)
• density: 0.868 g/mL at 25 °C (lit.)
• functional group: hydroxyl
• SMILES string: CC(C)(O)C#C
• InChI: 1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
• InChI key: CEBKHWWANWSNTI-UHFFFAOYSA-N

Description

General description

2-Methyl-3-butyn-2-ol (MBY) is used as a precursor in the Mannich reaction and can undergo selective semihydrogenation to produce fine chemicals.

Application

2-Methyl-3-butyn-2-ol can be used as a reactant to synthesize:,·

• Aryl-2-methyl-3-butyn-2-ols via Pd-catalyzed Sonogashira coupling reaction with various aryl bromides.      
• 2-Methyl-3-buten-2-ol (MBE) by Pd/γ-Al₂O₃ catalyzed selective hydrogenation reaction. MBE is applicable as an important intermediate in the synthesis of vitamin A.      
• Diarylacetylenes via Pd-catalyzed Sonogashira coupling reaction with aryl chlorides in the presence of Cs₂CO₃ as a base. 
• Optically active propargylic alcohols by enantioselective addition reaction with various aldehydes in the presence of Zn(OTf)₂ and N-methylephedrine.

Safety Information

• Pictograms: GHS02,GHS08,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H302,H318,H336,H361fd
• Precautionary Statements: P202 - P210 - P280 - P301 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Repr. 2 - STOT SE 3
• Target Organs: Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 66.2 °F - closed cup
• Flash Point(C): 19 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves