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187607

5-Methyl-3-hexen-2-one

Name: 5-Methyl-3-hexen-2-one
Brand: ALDRICH

technical grade, 75%

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About This Item

Linear Formula:

(CH₃)₂CHCH=CHCOCH₃

CAS Number:

5166-53-0

Molecular Weight:

112.17

NACRES:

NA.22

PubChem Substance ID:

24851279

UNSPSC Code:

12352100

MDL number:

MFCD00012166

Assay:

75%

Form:

liquid

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Properties

grade

technical grade

Quality Segment

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.

pictograms

GHS02,GHS06

signalword

Danger

hcodes

H226,H302 + H332,H311

pcodes

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

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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