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Safety Information

280070

Sigma-Aldrich

3,5-Heptanedione

97%

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About This Item

Linear Formula:
H3CCH2COCH2COCH2CH3
CAS Number:
7424-54-6
Molecular Weight:
128.17
Beilstein:
635979
EC Number:
231-054-5
MDL number:
MFCD00015186
UNSPSC Code:
12352100
PubChem Substance ID:
24856926
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.456 (lit.)

bp

175-177 °C/754 mmHg (lit.)

density

0.946 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CCC(=O)CC(=O)CC

InChI

1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3

InChI key

DGCTVLNZTFDPDJ-UHFFFAOYSA-N

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Application

3,5-Heptanedione has been used in:
  • preparation of 3,5-diethylpyrazole hydrochloride
  • enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

135.0 °F - closed cup

Flash Point(C)

57.2 °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

280070-BULK-A:
280070-VAR-A:
280070-5G-A:
280070-25G-A:

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ5102
STBH6680
STBG4374V
STBB4178V
STBD3992V

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THE ANTIDIABETIC ACTIVITY OF 3,5-DIMETHYLPYRAZOLES.
J B WRIGHT et al.
Journal of medicinal chemistry, 7, 102-105 (1964-01-01)
David A Evans et al.
Journal of the American Chemical Society, 129(37), 11583-11592 (2007-08-28)
Readily prepared Ni(II)-bis[(R,R)-N,N'-dibenzylcyclohexane-1,2-diamine]Br(2) was shown to catalyze the Michael addition of 1,3-dicarbonyl compounds to nitroalkenes at room temperature in good yields with high enantioselectivities. The two diamine ligands in this system each play a distinct role: one serves as a

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