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187607

Sigma-Aldrich

5-Methyl-3-hexen-2-one

technical grade, 75%

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About This Item

Linear Formula:
(CH3)2CHCH=CHCOCH3
CAS Number:
Molecular Weight:
112.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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grade

technical grade

Quality Level

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+

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[1].

Application

5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols[1].

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Statements

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


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