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549959

Sigma-Aldrich

2-Benzylcyclohexanone

≥97%

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About This Item

Linear Formula:
C6H5CH2C6H9O
CAS Number:
Molecular Weight:
188.27
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

≥97%

refractive index

n20/D 1.536 (lit.)

bp

103-105 °C/0.2 mmHg (lit.)

density

1.024 g/mL at 25 °C (lit.)

SMILES string

O=C1CCCCC1Cc2ccccc2

InChI

1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2

InChI key

CUYLPYBYCYQGCE-UHFFFAOYSA-N

General description

2-Benzylcyclohexanone is a 2-substituted cyclohexanone derivative that can be prepared by the catalytic hydrogenation of 2-benzalcyclohexanone.

Application

2-Benzylcyclohexanone may be used in the preparation of ethyl 1-hydroxy-2-benzylcyclohexylacetate.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Chemistry of carbanions. XIX. Alkylation of enolates from unsymmetrical ketones.
House HO, et al.
The Journal of Organic Chemistry, 36(16), 2361-2371 (1971)
Dialkylaminoalkyl Derivatives of 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene and Related Compounds.
Villani FJ, et al.
Journal of Medicinal Chemistry, 5(2), 373-383 (1962)

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