Acetonedicarboxylic acid
IUPAC: 3-oxopentanedioic acid
Plain text
Chemfused. (2026). Acetonedicarboxylic acid, CAS 542-05-2. Retrieved 2026-04-28 from https://chemfused.com/cas/542-05-2
BibTeX
@misc{chemfused-cas-542052,
title = {Acetonedicarboxylic acid, CAS 542-05-2},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/542-05-2},
urldate = {2026-04-28}
}
Acetonedicarboxylic acid (CAS 542-05-2) is a chemical compound with molecular formula C5H6O5 and molecular weight 146.1 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.
What is Acetonedicarboxylic acid?
- Molecular Formula
- C5H6O5
- Molecular Weight
- 146.10 g/mol
- Melting Point
- 138 °C
Description
3-Oxoglutaric acid is an oxo carboxylic acid. It is a conjugate acid of a 3-oxoglutarate(2-).
Structure Identifiers
- SMILES
- 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
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 146.0215 Da
- XLogP
- -0.70
- TPSA
- 91.7 Ų
- H-Bond Donors
- 2
- H-Bond Acceptors
- 5
- Complexity
- 153
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS07
Hazard Statements
- H315 Causes skin irritation
Precautionary Statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (66)
- 6JN
- K0006
- s6048
- C23054
- AC-3531
- F066651
- FA00389
- FS-4496
- 542-05-2
- PD099520
- Q2823239
- SY001562
- BBL027398
- SBB065807
- STL382157
- CS-W007752
- EBC-153124
- F2191-0194
- HY-W007752
- IH7P7WO21P
- NS00002494
- orb1689872
- ST50823999
- Z104476434
- CHEBI:88950
- EN300-20020
- EC 208-797-9
- MFCD00002711
- SCHEMBL28522
- AKOS005146511
- DTXCID2041626
- DTXSID2060252
- 3-oxoglutarate
- RefChem:109004
- UNII-IH7P7WO21P
- EINECS 208-797-9
- 3Oxoglutaric acid
- 3-Oxoglutaric acid
- 3Ketoglutaric acid
- 3-Ketoglutaric Acid
- acetondicarbonsaure
- b-ketoglutaric acid
- 3-oxopentanedioicacid
- 3oxopentanedioic acid
- betaKetoglutaric acid
- Glutaric acid, 3-oxo-
- 3-oxopentanedioic acid
- beta-KETOGLUTARIC ACID
- 3-oxo-pentanedioic acid
- Pentanedioic acid, 3oxo
Show 16 more names Show fewer names
- .BETA.-KETOGLUTARIC ACID
- Acetonedicarboxylic acid
- Metronidazole Impurity 22
- Pentanedioic acid, 3-oxo-
- 1,3Acetonedicarboxylic acid
- 1,3-Acetonedicarboxylic acid
- 1.3-acetonedicarboxylic acid
- 1,3-acetone dicarboxylic acid
- acetone 1,3-dicarboxylic acid
- acetone-1,3-dicarboxylic acid
- ACETONEDICARBOXYLIC ACID [MI]
- I(2)-KetoglutarsA currencyure
- 1,3-diacetonedicarboxylic acid
- 1,3-Acetonedicarboxylic acid,96%
- 72B67DDF-F659-43AA-9A12-E57411FDE057
- 1,3-Acetonedicarboxylic acid, technical grade
Frequently asked questions
What is the CAS number of Acetonedicarboxylic acid?
The CAS Registry Number for Acetonedicarboxylic acid is 542-05-2.
What is the IUPAC name of Acetonedicarboxylic acid?
The IUPAC name of Acetonedicarboxylic acid is 3-oxopentanedioic acid.
What is the molecular formula of Acetonedicarboxylic acid?
Acetonedicarboxylic acid has the molecular formula C5H6O5 and a molecular weight of 146.1 g/mol.
What is the SMILES notation for Acetonedicarboxylic acid?
The SMILES notation for Acetonedicarboxylic acid is C(C(=O)CC(=O)O)C(=O)O.
What is the melting point of Acetonedicarboxylic acid?
The melting point of Acetonedicarboxylic acid is 138 °C.
Is Acetonedicarboxylic acid hazardous?
Acetonedicarboxylic acid carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.
What are other names for Acetonedicarboxylic acid?
Acetonedicarboxylic acid is also known as .BETA.-KETOGLUTARIC ACID, 1,3-acetone dicarboxylic acid, 1,3-Acetonedicarboxylic acid, 1,3-Acetonedicarboxylic acid, technical grade, 1,3-Acetonedicarboxylic acid,96%.
Data sourced from PubChem CID 68328. Last updated .
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