537691

Sigma-Aldrich

2,6-Dimethyl-4-heptanone

technical grade

Sinônimo(s):
Isovalerone, Diisobutyl ketone
Fórmula linear:
(CH3)2CHCH2COCH2CH(CH3)2
Número CAS:
Peso molecular:
142.24
Beilstein/REAXYS Number:
1743163
Número MDL:
ID de substância PubChem:
NACRES:
NA.22

Nível de qualidade

100

grau

technical grade

densidade de vapor

4.9 (vs air)

pressão de vapor

1.7 mmHg ( 20 °C)

temperatura de autoignição

745 °F

composição

DIBK, 55-65%

Lim. expl.

0.8-6.2 %, 100 °F

Impurezas

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

índice de refração

n20/D 1.412 (lit.)

pb

165-170 °C (lit.)

densidade

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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Descrição geral

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.

Aplicação

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

Embalagem

1, 4 L in glass bottle
18 L in steel drum

Pictogramas

FlameExclamation mark

Palavra indicadora

Warning

Frases de perigo

Declarações de precaução

Órgãos-alvo

Respiratory system

Equipamento de proteção individual

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

RIDADR

UN1157 - class 3 - PG 3 - Diisobutyl ketone

WGK Alemanha

WGK 3

Ponto de fulgor (ºF)

120.2 °F - closed cup

Ponto de fulgor (ºC)

49 °C - closed cup

  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.

  3. How do I find price and availability?

    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.

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

    Ask a Scientist here.

Thermal decomposition of Yttrium (III) isovalerate in argon.
Grivel JC, et al.
Journal of Analytical and Applied Pyrolysis (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)
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)
D E Dodd et al.
Toxicology and industrial health, 3(4), 443-457 (1987-12-01)
Four groups, each consisting of 10 male and 10 female Fischer-344 rats, were exposed 6 h/day, 5 days/week, for 9 days to diisobutyl ketone (DIBK) vapor at concentrations of 905, 300, 98, or 0 (control) ppm. An additional 10 rats/sex...

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