8.09622
Ethyl acetoacetate
for synthesis
Synonym(s):
Ethyl acetoacetate, EAA, Acetoacetic acid ethyl ester
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About This Item
SMILES string
O(CC)C(=O)CC(=O)C
InChI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChI key
XYIBRDXRRQCHLP-UHFFFAOYSA-N
vapor pressure
0.26 hPa ( 20 °C)
assay
≥98.0% (GC)
form
liquid
autoignition temp.
350 °C
potency
3980 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)
expl. lim.
1.0-54 % (v/v)
pH
4.0 (20 °C, 110 g/L in H2O)
mp
-53.3 °C
transition temp
flash point 73.5 °C
solubility
130.3 g/L
density
1.03 g/cm3 at 20 °C
storage temp.
2-30°C
Quality Level
Application
- 7-hydroxycoumarin derivatives via Pechmann condensation reaction with 1,3-dihydroxybenzene in the presence of acid catalysts.
- 2,6-disubstituted piperidine alkaloid, (−)-pinidinone via stereoselective α-aminoallylation followed by Grubbs′ olefin cross-metathesis reaction.
- Michael addition products via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.
- α, β-unsaturated carbonyl compounds via Knoevenagel condensation reaction with glyceraldehyde acetonide in the presence of a base catalyst.
It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.
Analysis Note
Density (d 20 °C/ 4 °C): 1.028 - 1.030
Identity (IR): passes test
Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
164.3 °F - closed cup
flash_point_c
73.5 °C - closed cup
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.
Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid
fsl
Substances Subject to be Indicated Names
ishl_indicated
Substances Subject to be Notified Names
ishl_notified
8096220501: + 8096229999: + US1809622/1000: + 8096221000: + IN28096222500: + 8096220100: + IN2RCME809622: + 8096222521: + 8096220521: + IN28096220500: + 8096222501: + 8096229025: + 8096220000: + 8096222500:
jan
Certificates of Analysis (COA)
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8.09622.9025 | 04022536402109 |
| 8.09622.2500 | 04022536402086 |
| 8.09622.1000 | 04022536402079 |
| 8.09622.0100 | 04022536402062 |
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