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109991 Sigma-Aldrich

2,6-Dimethyl-4-heptanone

technical grade, 80%

Synonym: Diisobutyl ketone, Isovalerone

  • CAS Number 108-83-8

  • Linear Formula (CH3)2CHCH2COCH2CH(CH3)2

  • Molecular Weight 142.24

  •  Beilstein/REAXYS Number 1743163

  •  MDL number MFCD00008940

  •  PubChem Substance ID 24846952

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Properties

Related Categories Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones,
grade   technical grade
vapor density   4.9 (vs air)
vapor pressure   1.7 mmHg ( 20 °C)
assay   80%
autoignition temp.   745 °F
expl. lim.   0.8-6.2 %, 100 °F
impurities   <15% 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
Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN1157 - class 3 - PG 3 - Diisobutyl ketone
WGK Germany 
3
Flash Point(F) 
120.2 °F
Flash Point(C) 
49 °C

Frequently Asked Questions

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.
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.
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.
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.
What is the difference between 2.6-Dimethyl-4-heptanone,Products 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.
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Protocols & Articles
Peer-Reviewed Papers
15

References

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