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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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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