3-Oxopentanedioic acid | CAS No. 542-05-2

3-Oxopentanedioic acid

Basic Information

CAS Number

542-05-2

Molecular Formula

C5H6O5

Molecular Weight

146.1 g/mol

AD

Basic Physical Properties

Melting Point

133 ºC

Boiling Point

408.4°C at 760 mmHg

Flash Point

214.9±21.1 °C

Refractive Index

1.3920 (estimate)

Vapor Pressure

0.0±2.0 mmHg at 25°C

C(C(=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)

InChIKey

OXTNCQMOKLOUAM-UHFFFAOYSA-N

LogP

-0.49509999999999993

pKa

pK (25°) 3.10

Topological Polar Surface Area

91.67 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

153

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • FT-0621806
  • Q2823239
  • 1,3-Acetonedicarboxylic acid; 3-Ketoglutaric acid
  • K0006
  • 3-Ketoglutaric Acid
  • beta-KETOGLUTARIC ACID
  • 3-oxo-pentanedioic acid
  • OXTNCQMOKLOUAM-UHFFFAOYSA-N
  • DTXSID2060252
  • Z104476434
  • EN300-20020
  • 1,3-Acetonedicarboxylic acid
  • FS-4496
  • 542-05-2
  • MFCD00002711
  • EINECS 208-797-9
  • 1.3-acetonedicarboxylic acid
  • acetone-1,3-dicarboxylic acid
  • CS-W007752
  • acetondicarbonsaure
  • K-2480
  • 72B67DDF-F659-43AA-9A12-E57411FDE057
  • ACETONEDICARBOXYLIC ACID [MI]
  • 3-Oxoglutaric acid
  • Pentanedioic acid, 3-oxo-
  • Glutaric acid, 3-oxo-
  • UNII-IH7P7WO21P
  • I(2)-KetoglutarsA currencyure
  • CHEBI:88950
  • AC-3531
  • NS00002494

MDL Number

MFCD00002711

Customs Code

2942000000

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