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01-0740

Sigma-Aldrich

Acetylacetone

JIS special grade, ≥99%

Synonym(s):

2,4-Pentanedione

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About This Item

Linear Formula:
CH3COCH2COCH3
CAS Number:
123-54-6
Molecular Weight:
100.12
Beilstein:
741937
EC Number:
204-634-0
MDL number:
MFCD00008787
UNSPSC Code:
12352115
PubChem Substance ID:
329747209

grade

JIS special grade

vapor density

3.5 (vs air)

vapor pressure

6 mmHg ( 20 °C)

Assay

≥99%

form

liquid

autoignition temp.

662 °F

expl. lim.

11.4 %

availability

available only in Japan

refractive index

n20/D 1.452 (lit.)

pH

6 (20 °C, 200 g/L)

bp

140.4 °C (lit.)

mp

−23 °C (lit.)

density

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

InChI key

YRKCREAYFQTBPV-UHFFFAOYSA-N

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Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Statements

H226,H302,H311 + H331

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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