278394

3,5-Dimethyl-1-hexin-3-ol

98%

• Synonym(e): 3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol
• Lineare Formel: (CH₃)₂CHCH₂C(CH₃)(OH)C≡CH
• CAS-Nummer: 107-54-0
• Molekulargewicht: 126.20
• EG-Nummer: 203-500-9
• MDL-Nummer: MFCD00008941
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24856811
• NACRES: NA.22

Eigenschaften

• Dampfdichte: 4.34 (vs air)
• Dampfdruck: 4.5 mmHg ( 20 °C)
• Assay: 98%
• Form: liquid
• Brechungsindex: n20/D 1.434 (lit.)
• bp: 150-151 °C (lit.)
• Dichte: 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
• InChIKey: NECRQCBKTGZNMH-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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.

Sicherheitshinweise

• Piktogramme: GHS02,GHS06
• Signalwort: Danger
• H-Sätze: H226,H301 + H311 + H331,H319
• P-Sätze: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 111.2 °F - closed cup
• Flammpunkt (°C): 44 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter