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01-0740

Sigma-Aldrich

Acetylaceton

JIS special grade, ≥99%

Synonym(e):

2,4-Pentandion

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About This Item

Lineare Formel:
CH3COCH2COCH3
CAS-Nummer:
123-54-6
Molekulargewicht:
100.12
Beilstein:
741937
EG-Nummer:
204-634-0
MDL-Nummer:
MFCD00008787
UNSPSC-Code:
12352115
PubChem Substanz-ID:
329747209

Qualität

JIS special grade

Dampfdichte

3.5 (vs air)

Dampfdruck

6 mmHg ( 20 °C)

Assay

≥99%

Form

liquid

Selbstzündungstemp.

662 °F

Expl.-Gr.

11.4 %

Verfügbarkeit

available only in Japan

Brechungsindex

n20/D 1.452 (lit.)

pH-Wert

6 (20 °C, 200 g/L)

bp

140.4 °C (lit.)

mp (Schmelzpunkt)

−23 °C (lit.)

Dichte

0.975 g/mL at 25 °C (lit.)

SMILES String

CC(=O)CC(C)=O

InChI

1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

InChIKey

YRKCREAYFQTBPV-UHFFFAOYSA-N

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Piktogramme

FlameSkull and crossbones
GHS02,GHS06

Signalwort

Danger

Gefahreneinstufungen

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Lagerklassenschlüssel

3 - Flammable liquids

WGK

WGK 1

Flammpunkt (°F)

95.0 °F - closed cup

Flammpunkt (°C)

35 °C - closed cup

Persönliche Schutzausrüstung

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Analysenzertifikate (COA)

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Daryl L Howard et al.
The journal of physical chemistry. A, 119(29), 7980-7990 (2015-04-22)
The infrared and near-infrared spectra of acetylacetone, acetylacetone-d8, and hexafluoroacetylacetone are characterized from experiment and computations at different levels. In the fundamental region, the intramolecular hydrogen bonded OH-stretching transition is clearly observed as a very broad band with substantial structure
Rolando R Lozada-García et al.
Physical chemistry chemical physics : PCCP, 14(10), 3450-3459 (2012-02-07)
The photochemistry of the chelated enol form of acetylacetone (AcAc) was investigated by UV excitation of the S(2) state at 266 nm in parahydrogen matrices, complemented by experiments in neon and normal hydrogen matrices. Infrared (IR) spectroscopy, combined with theoretical
Heaweon Park et al.
Inorganic chemistry, 50(23), 11978-11989 (2011-11-01)
A series of high-spin iron(II) β-diketonato complexes have been prepared and characterized with the intent of modeling the substrate-bound form of the enzyme acetylacetone dioxygenase (Dke1). The Dke1 active site features an Fe(II) center coordinated by three histidine residues in
Zhenkun Sun et al.
Journal of the American Chemical Society, 134(42), 17653-17660 (2012-10-02)
The organization of different nano objects with tunable sizes, morphologies, and functions into integrated nanostructures is critical to the development of novel nanosystems that display high performances in sensing, catalysis, and so on. Herein, using acetylacetone as a chelating agent
Senthil Narayanaperumal et al.
Ultrasonics sonochemistry, 20(3), 793-798 (2012-12-12)
A task-specific ionic liquid (TSIL) has been introduced as a recyclable catalyst in Michael addition. A series of nitroalkenes and various C-based nucleophiles were reacted in the presence of 30mol% of recyclable basic-functionalized ionic liquid. Good to excellent yields were
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