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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
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grade

technical grade

Quality Segment

100

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

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

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.

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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

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