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M3394

6-Methyl-2,4-heptanedione

≥98%

Synonym(s):

Isovalerylacetone, NSC 42238, NSC 42240, NSC 46469, NSC 94

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About This Item

Linear Formula:
(CH3)2CHCH2COCH2COCH3
CAS Number:
3002-23-1
Molecular Weight:
142.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57654375
EC Number:
221-093-6
Beilstein/REAXYS Number:
1751122
MDL number:
MFCD00008939
Assay:
≥98%
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Quality Segment

200

assay

≥98%

color

colorless to faint yellow

density

0.92 g/mL at 25 °C (lit.)

functional group

ketone

storage temp.

2-8°C

SMILES string

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

InChI

1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

InChI key

IGMOYJSFRIASIE-UHFFFAOYSA-N

Application

Reactant involved in:
  • Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)propene derivatives for synthesis of disubstituted furans
  • Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ
  • Addition reactions with 1-alkynes
  • Knoevenagel condensation
  • Oxidative free radical reactions with 2-amino-1,4-benzoquinones
  • Mild oxidative cleavage for synthesis of carboxylic acids

signalword

Warning

pictograms

FlameExclamation mark
GHS02,GHS07

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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