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537691

Sigma-Aldrich

2,6-Dimethyl-4-heptanone

technical grade

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Synonym(s):
Diisobutyl ketone, Isovalerone
Linear Formula:
(CH3)2CHCH2COCH2CH(CH3)2
CAS Number:
108-83-8
Molecular Weight:
142.24
Beilstein:
1743163
MDL number:
MFCD00008940
UNSPSC Code:
12352100
PubChem Substance ID:
24878243
NACRES:
NA.22

grade

technical grade

Quality Level

100

vapor density

4.9 (vs air)

vapor pressure

1.7 mmHg ( 20 °C)

autoignition temp.

745 °F

composition

DIBK, 55-65%

expl. lim.

0.8-6.2 %, 100 °F

impurities

2-5% TMCH (3,3,5-Trimethylcyclohexanone)
25-35% DMH (4,6-Dimethyl-2-heptanone)

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
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H335

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

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    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the difference between Product Nos. 537691 and 109991?

    Product No. 537691 is required to have a purity greater than 90%, and Product No. 109991 need only have a purity of around 80%.  Aside from the purity specification, all other specifications are the same.

  6. What other names does 2,6-Dimethyl-4-heptanone (Product No. 537691) have?

    2,6-Dimethyl-4-heptanone is also called Diisobutyl ketone and Isovalerone.

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    Ask a Scientist here.

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)
Marte Balchen et al.
Analytica chimica acta, 716, 16-23 (2012-01-31)
A totally new concept based on electrokinetic migration was evaluated for the extraction of three biologically active peptides from human plasma. Angiotensin 2, leu-enkephalin, and endomorphin 1 migrated from a diluted human plasma sample (2 mL, positive electrode), through a
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