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Merck
CN

537691

2,6-Dimethyl-4-heptanone

technical grade

Synonym(s):

Diisobutyl ketone, Isovalerone

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About This Item

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

Key Documents

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Product Name

2,6-Dimethyl-4-heptanone, technical grade

InChI

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

SMILES string

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

InChI key

PTTPXKJBFFKCEK-UHFFFAOYSA-N

grade

technical grade

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.)

functional group

ketone

Quality Level

100

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Application

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

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H335

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

120.2 °F - closed cup

flash_point_c

49 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ6754
MKCZ4964
MKCX5652
MKCW8318
MKCW3915

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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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    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

  4. What is the Department of Transportation shipping information for this product?

    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.

  7. My question is not addressed here, how can I contact Technical Service for assistance?

    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)
Extractive Separation of Pentanedioic Acid by Amberlite LA-2 in Various Solvents.
Uslu H, et al.
Journal of Chemical and Engineering Data (2016)
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)
[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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