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405752

2-Allylcyclohexanone

97%

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About This Item

Linear Formula:
H2C=CHCH2C6H9(=O)
CAS Number:
94-66-6
Molecular Weight:
138.21
NACRES:
NA.22
PubChem Substance ID:
24865329
UNSPSC Code:
12352100
EC Number:
202-352-2
MDL number:
MFCD00043548
Assay:
97%
Form:
liquid
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Quality Segment

100

assay

97%

form

liquid

refractive index

n20/D 1.469 (lit.)

bp

94 °C/23 mmHg (lit.)

density

0.927 g/mL at 25 °C (lit.)

functional group

allyl, ketone

SMILES string

C=CCC1CCCCC1=O

InChI

1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2

InChI key

UPGHEUSRLZSXAE-UHFFFAOYSA-N

General description

2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.

Application

2-Allylcyclohexanone may be used in the synthesis of the following:
  • bicyclo[3.3.1]non-2-en-9-one
  • R-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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