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373613

Sigma-Aldrich

2,2-Dimethylcyclohexanone

92%

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About This Item

Linear Formula:
(CH3)2C6H8(=O)
CAS Number:
1193-47-1
Molecular Weight:
126.20
MDL number:
MFCD00134382
UNSPSC Code:
12352100
PubChem Substance ID:
24863249
NACRES:
NA.22

Assay

92%

refractive index

n20/D 1.448 (lit.)

bp

169-170 °C/768 mmHg (lit.)

mp

−20 °C (lit.)

density

0.912 g/mL at 25 °C (lit.)

SMILES string

CC1(C)CCCCC1=O

InChI

1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3

InChI key

KNSPBSQWRKKAPI-UHFFFAOYSA-N

Related Categories

General description

2,2-Dimethylcyclohexanone is a sterically hindered ketone. Mg-TiCl4-catalyzed CH2-transfer reaction of 2,2-dimethylcyclohexanone with CH2Cl2 is reported.

Application

2,2-Dimethylcyclohexanone may be used in the preparation of 6,6-dimethyl-1-vinylcyclohexene.

Other Notes

Remainder 2-methylcyclohexanone

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

122.0 °F - closed cup

Flash Point(C)

50 °C - closed cup

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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Tu-Hsin Yan et al.
Organic letters, 6(26), 4961-4963 (2004-12-21)
[reaction: see text] This Mg-TiCl4-promoted CH2-transfer reaction of CH2Cl2 represents an extremely simple, practical, and efficient methylenation of a variety of ketones and aldehydes, especially in enolizable or sterically hindered ketones such as 2,2-dimethylcyclohexanone, camphor, and fenchone.
Synthesis and antioxidant activity of rosmariquinone and several analogues.
Hall CA, et al.
Journal of Agricultural and Food Chemistry, 46(4), 1303-1310 (1998)

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