187607

5-Methyl-3-hexen-2-one

technical grade, 75%

• Linear Formula: (CH₃)₂CHCH=CHCOCH₃
• CAS Number: 5166-53-0
• Molecular Weight: 112.17
• MDL number: MFCD00012166
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851279
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• Assay: 75%
• form: liquid
• impurities: <25% 5-methyl-4-hexen-2-one
• refractive index: n20/D 1.44 (lit.)
• density: 0.85 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(C)\C=C\C(C)=O
• InChI: 1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+
• InChI key: IYMKNYVCXUEFJE-SNAWJCMRSA-N

Description

General description

5-methyl-3-hexen-2-one reacts with indole in the presence of pyrrolidine and p-TsOH in CH₂Cl₂ to yield the 3-substituted indole adduct.

Application

5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols.

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H226,H302 + H332,H311
• Precautionary Statements: P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 118.4 °F - closed cup
• Flash Point(C): 48 °C - closed cup