01-0740
Acetylacetone
JIS special grade, ≥99%
Synonym(s):
2,4-Pentanedione
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About This Item
Linear Formula:
CH3COCH2COCH3
CAS Number:
Molecular Weight:
100.12
EC Number:
204-634-0
UNSPSC Code:
12352115
PubChem Substance ID:
Beilstein/REAXYS Number:
741937
MDL number:
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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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
95.0 °F - closed cup
flash_point_c
35 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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
Kyoji Tsuchikama et al.
The Journal of organic chemistry, 76(17), 6981-6989 (2011-06-18)
Bacteria have developed a cell-to-cell communication system, termed quorum sensing (QS), which allows for the population-dependent coordination of their behavior via the exchange of chemical signals. Autoinducer-2 (AI-2), a class of QS signals derived from 4,5-dihydroxy-2,3-pentandione (DPD), has been revealed
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 01-0740-2-25G-J | 04061832683119 |
| 01-0740-5-500ML-J | 04061837739293 |