Pentanoic acid, 2,4-dioxo-, methyl ester
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Pentanoic acid, 2,4-dioxo-, methyl ester
structure -
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CAS No:
20577-61-1
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Formula:
C6H8O4
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Chemical Name:
Pentanoic acid, 2,4-dioxo-, methyl ester
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Synonyms:
Pentanoic acid,2,4-dioxo-,methyl ester;Valeric acid,2,4-dioxo-,methyl ester;Methyl β-acetylpyruvate;Methyl 3-acetylpyruvate;Methyl acetylpyruvate;Methyl 2,4-dioxopentanoate;1-Methoxy-1,2,4-pentanetrione
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CAS No:
Pentanoic acid, 2,4-dioxo-, methyl ester Basic Attributes
144.13
144.13
243-891-3
DTXSID50174583
2918300090
Characteristics
60.44000
-0.29240
white or faintly yellow needles
1.15g/cm3
61.5-62.5 °C @ Solvent: Benzene
93-97 °C @ Press: 9-11 Torr
76℃
1.467
2-8°C
0.00067mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36
24/25-26
F,Xi
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.
Pentanoic acid, 2,4-dioxo-, methyl ester Use and Manufacturing
Available in the condensation of dimethyl oxalate and acetone.
Sulfamethoxazole intermediate.
Computed Properties
Molecular Weight:144.12
XLogP3:-0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:144.04225873
Monoisotopic Mass:144.04225873
Topological Polar Surface Area:60.4
Heavy Atom Count:10
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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