278394

3,5-Dimethyl-1-hexyn-3-ol

98%

• 동의어(들): 3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)(OH)C≡CH
• CAS Number: 107-54-0
• Molecular Weight: 126.20
• EC Number: 203-500-9
• MDL number: MFCD00008941
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24856811
• NACRES: NA.22

속성

• vapor density: 4.34 (vs air)
• vapor pressure: 4.5 mmHg ( 20 °C)
• 분석: 98%
• 양식: liquid
• refractive index: n20/D 1.434 (lit.)
• bp: 150-151 °C (lit.)
• density: 0.859 g/mL at 25 °C (lit.)
• 작용기: hydroxyl
• 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

설명

일반 설명

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.

애플리케이션

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.

안전성 정보

• 픽토그램: GHS02,GHS06
• 신호어: Danger
• 유해 및 위험 성명서: H226,H301 + H311 + H331,H319
• 예방조치 성명서: 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
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter