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537691

Sigma-Aldrich

2,6-Dimethyl-4-heptanone

new

technical grade

Synonym(s):

Diisobutyl ketone, Isovalerone

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About This Item

Linear Formula:
(CH3)2CHCH2COCH2CH(CH3)2
CAS Number:
Molecular Weight:
142.24
Beilstein:
1743163
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Quality Level

vapor density

4.9 (vs air)

vapor pressure

1.7 mmHg ( 20 °C)

autoignition temp.

745 °F

composition

  • 2,6-Dimethyl-4-heptanone (main component)
  • 4,6-Dimethyl-2-heptanone (secondary component)
  • 3,3,5-Trimethylcyclohexanone (minor component)

expl. lim.

0.8-6.2 %, 100 °F

refractive index

n20/D 1.412 (lit.)

bp

165-170 °C (lit.)

density

0.808 g/mL at 25 °C (lit.)

SMILES string

CC(C)CC(=O)CC(C)C

InChI

1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

PTTPXKJBFFKCEK-UHFFFAOYSA-N

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General description

2,6-Dimethyl-4-heptanone (di-i-butyl ketone) is widely employed as an industrial solvent. It undergoes gas-phase reaction with the OH radical in the presence of NOx to afford acetone and 2-methylpropanal. 2,6-Dimethyl-4-heptanone is formed as a product during the thermal degradation of Yttrium(III) isovalerate Y.

Application

2,6-Dimethyl-4-heptanone may be employed as a diluent for the isolation of pentanedioic acid by using Amberlite LA-2.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

120.2 °F - closed cup

Flash Point(C)

49 °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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Products of the gas-phase OH radical-initiated reactions of 4-methyl-2-pentanone and 2, 6-dimethyl-4-heptanone.
Atkinson R and Aschmann SM.
International Journal of Chemical Kinetics, 27(3), 261-275 (1993)
The Vapor Pressures and Some Other Properties of Di-i-butyl Ketone and Di-i-butylcarbinol.
Stross FH, et al.
Journal of the American Chemical Society, 69(7), 1629- 1630 (1947)
Thermal decomposition of Yttrium (III) isovalerate in argon.
Grivel JC, et al.
Journal of Analytical and Applied Pyrolysis (2016)
Extractive Separation of Pentanedioic Acid by Amberlite LA-2 in Various Solvents.
Uslu H, et al.
Journal of Chemical and Engineering Data (2016)
[Thermal desorption gas chromatography for determination of diisobutyl ketone in air of working places].
Wei Chen et al.
Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases, 26(2), 110-112 (2008-05-01)

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