1,3-Acetonedicarboxylic acid (CAS 542-05-2) — formula C5H6O5, molecular weight 146.10; category organic chemicals.
| CAS Number | 542-05-2 |
|---|---|
| Molecular Formula | C5H6O5 |
| Molecular Weight | 146.10 |
| Melting Point | 138 °C |
| LogP | -0.7 |
| Category | Organic Chemicals |
1,3-Acetonedicarboxylic acid is a carbon-based organic compound with CAS registry number 542-05-2 and molecular formula C5H6O5 (molecular weight 146.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 542-05-2
Its molecular formula C5H6O5 comprises 5 C, 6 H, 5 O atoms.
Also known as: 1,3-Acetonedicarboxylic acid · 1,3-丙酮二甲酸
Category: organic chemicals
The CAS registry number of 1,3-Acetonedicarboxylic acid is 542-05-2.
Molecular formula C5H6O5, molecular weight 146.10.
It is also registered under: 1,3-Acetonedicarboxylic acid, 1,3-丙酮二甲酸.
Category: Organic Chemicals.
Independent reference data for 1,3-Acetonedicarboxylic acid (CAS 542-05-2), compiled from public chemistry databases.
| CAS Registry Number | 542-05-2 |
|---|---|
| PubChem CID | 68328 |
| Molecular formula | C5H6O5 |
| IUPAC name | 3-oxopentanedioic acid |
| UNII (FDA) | IH7P7WO21P |
| Molecular Weight | 146.10 |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.02152329 |
| Monoisotopic Mass | 146.02152329 |
| Topological Polar Surface Area | 91.7 |
| Heavy Atom Count | 10 |
| Melting Point | 138 °C |
|---|
3-oxopentanedioic acid; 3-Oxoglutaric acid; Acetonedicarboxylic acid; Pentanedioic acid, 3-oxo-; beta-KETOGLUTARIC ACID; UNII-IH7P7WO21P; IH7P7WO21P; EINECS 208-797-9; .BETA.-KETOGLUTARIC ACID; DTXSID2060252; EC 208-797-9; ACETONEDICARBOXYLIC ACID [MI]; 3Oxoglutaric acid; 3Ketoglutaric acid; betaKetoglutaric acid; 3oxopentanedioic acid
| GHS notification summary | 13.3% (2 / 15) |
|---|
| GHS notification summary | 13.3% (2 / 15) |
|---|---|
| Reported hazard statements | H315 (86.7%), H319 (86.7%), H335 (33.3%) |
This chemical does not meet GHS hazard criteria for 13.3% (2 of 15) of reports.
H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]
1,3-Acetonedicarboxylic acid · CAS 542-05-2 · C5H6O5. UNII IH7P7WO21P. Melting Point: 138 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,3-丙酮二甲酸