3 5-DIMETHYL-1-HEXYN-3-OL 98% (C005B-006448)

General description

Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique. Reaction of CO₂ with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated.

Application

3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:

• 3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.
• 3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).
• 3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.

Molecular Weight: 126.20. Empirical Formula: C₈H₁₄O. linearFormula: (CH₃)₂CHCH₂C(CH₃)(OH)C≡. CH. vapor density: 4.34 (vs air). Quality Level: 200. vapor pressure: 4.5 mmHg ( 20 °C). Assay: 98%. form: liquid. refractive index: n20/D 1.434 (lit.). bp: 150-151 . °C (lit.). density: 0.859 . g/mL . at 25 . °C (lit.). SMILES string: CC(C)CC(C)(O)C#C. InChI: 1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3. InChI key: NECRQCBKTGZNMH-UHFFFAOYSA-N. Pictograms: GHS02,GHS06. Signal Word: Danger. Hazard Statements: H226 - H301 + H311 + H331 - H319. Precautionary Statements: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338. Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3. Storage Class Code: 3 - Flammable liquids. WGK: WGK 3. Flash Point(F): 111.2 °F - closed cup. Flash Point(C): 44 °C - closed cup. Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter.