394483

Sigma-Aldrich

Cyclobutyl methyl ketone

98%

Linear Formula:
C4H7COCH3
CAS Number:
Molecular Weight:
98.14
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

refractive index

n20/D 1.432 (lit.)

bp

137-139 °C/754 mmHg (lit.)

density

0.902 g/mL at 25 °C (lit.)

SMILES string

CC(=O)C1CCC1

InChI

1S/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3

InChI key

JPJOOTWNILDNAW-UHFFFAOYSA-N

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General description

Cyclobutyl methyl ketone (CMK, methyl cyclobutyl ketone) is an alicyclic ketone. It has been synthesized by reacting cyclobutanecarbonyl chloride with magnesium salt of malonic ester. The mechanism of the photochemical reaction of gaseous mixtures of cyclobutyl methyl ketone diluted in argon has been studied by steady-state and pulsed (laser) photolysis. It′s infrared (3500 to 30cm-1) and Raman (3200 to 30cm-1) spectra in gaseous and solid state has been recorded. The UV spectra have been measured in alcohol and isooctane solution. Study on the vapour phase thermal and photodecomposition of methyl cyclobutyl ketone shows that the mode of decomposition is free radical in nature.

Application

Cyclobutyl methyl ketone may be used as a model compound to study the oxidation mechanism of pinonic acid by hydroxyl radicals.

Packaging

5, 25 g in glass bottle

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all

WGK Germany

WGK 3

Flash Point(F)

84.2 °F - closed cup

Flash Point(C)

29 °C - closed cup

Ultraviolet Absorption Spectra of Alicyclic Compounds. II. Methyl Cycloalkyl Ketones1.
Mariella RP and Raube RR
Journal of the American Chemical Society, 74(2), 518-521 (1952)
The photochemistry of cyclobutyl methyl ketone. Part 1.-Room-temperature results and the general mechanism.
Baldwin PJ, et al
J. Chem. Soc., Faraday II, 83(6), 1049-1058 (1987)
Experimental and theoretical study of aqueous cis-pinonic acid photolysis.
Lignell H, et al.
The Journal of Physical Chemistry A, 117(48), 12930-12945 (2013)
Azo-bis Nitriles. 1 Decomposition of Azo Compounds. A Special Case of Carbon-Carbon Hyperconjugation in a Free Radical Reaction.
Overberger CG and Lebovits A
Journal of the American Chemical Society, 76(10), 2722-2725 (1954)
Spectra and structure of small ring molecules: Part XLIV. Vibrational spectra and conformational stability of cyclobutylmethyl ketone.
Durig JR, et al
Journal of Molecular Structure, 125(3-4), 211-227 (1984)

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