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Safety Information

M3394

Sigma-Aldrich

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
Beilstein:
1751122
EC Number:
221-093-6
MDL number:
MFCD00008939
UNSPSC Code:
12352100
PubChem Substance ID:
57654375
NACRES:
NA.22

Quality Level

200

Assay

≥98%

color

colorless to faint yellow

density

0.92 g/mL at 25 °C (lit.)

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

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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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

138.2 °F - closed cup

Flash Point(C)

59 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

M3394-VAR:
M3394-5G:
M3394-BULK:
M3394-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
SLCG5563
SLCG5562
SLBQ7561V
SLBP7661V
SLBP3428V

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Iwona Łakomska et al.
Materials (Basel, Switzerland), 13(23) (2020-12-02)
Herein, we present dicarboxylate platinum(II) complexes of the general formula [Pt(mal)(DMSO)(L)] and [Pt(CBDC)(DMSO)(L)], where L is dbtp 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine) or ibmtp (7-isobutyl-5-methyl-1,2,4- triazolo[1,5-a]pyrimidine), as prospective prodrugs. The platinum(II) complexes were synthesized in a one-pot reaction between cis-[PtCl2(DMSO)2], silver malonate or silver
Marzena Fandzloch et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 25(1), 109-124 (2019-11-20)
Six novel ruthenium(III) complexes of general formula [RuCl3(L)3] (1,3,5) and [RuCl3(H2O)(L)2] (2,4,6), where L stands for three different triazolopyrimidine-derived ligands, are reported. The compounds have been structurally characterized (IR, EPR, SCXRD), and their magnetic moments have been determined. The single-crystal
Marzena Fandzloch et al.
Journal of inorganic biochemistry, 210, 111072-111072 (2020-06-21)
Five novel rhodium(II) complexes of general formula [Rh2(μ-OOCCH3)4L2], where L is a triazolopyrimidine derivative, in particular dimethyl-1,2,4-triazolo[1,5-a]pyrimidine (dmtp) for (1), 5,7-diethyl-1,2,4-triazolo[1,5-a]pyrimidine (detp) for (2), 7-isobutyl-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine (ibmtp) for (3), 7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine (HmtpO) for (4) and 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp) for (5) are reported. These

Articles

Knoevenagel Condensation Reaction

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

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