CAS 541-50-4|Acetoacetic Acid
| Common Name | Acetoacetic Acid | ||
|---|---|---|---|
| CAS Number | 541-50-4 | Molecular Weight | 102.08900 |
| Density | 1.182g/cm3 | Boiling Point | 237.7ºC at 760mmHg |
| Molecular Formula | C4H6O3 | Melting Point | / |
| MSDS | / | Flash Point | 111.8ºC |
Names
| Name | acetoacetic acid |
|---|---|
| Synonym | More Synonyms |
Acetoacetic Acid BiologicalActivity
| Description | Acetoacetic acid is an endogenous metabolite present in Cerebrospinal_Fluid and Blood that can be used for the research of Meningitis, Pregnancy, 3 Hydroxy 3 Methylglutaryl CoA Lyase Deficiency, Preeclampsia/Eclampsia, Diabetes Mellitus Type 2, Glucose Transporter Type 1 Deficiency Syndrome and Succinyl CoA:3 Oxoacid CoA Transferase Deficiency[1][2][3][4][5][6][7]. |
|---|---|
| Related Catalog | Research Areas >>Metabolic DiseaseResearch Areas >>Neurological Disease |
| Target | Human Endogenous Metabolite |
| In Vitro | Endogenous metabolites is defined as those that are annotated by Kyoto Encyclopedia of Genes and Genomes as substrates or products of the ~1900 metabolic enzymes encoded in our genome. It is clear in the body of literature that there are documented toxic properties for many of these metabolites[1]. |
| References | [1]. Lee N, et al. Endogenous toxic metabolites and implications in cancer therapy. Oncogene. 2020 Aug;39(35):5709-5720. [2]. Subramanian A, et al. Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25. [3]. Bahado-Singh RO, et al. Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. [4]. Morris AA, et al. Hepatic mitochondrial 3-hydroxy-3-methylglutaryl-coenzyme a synthase deficiency. Pediatr Res. 1998 Sep;44(3):392-6. [5]. Tasker RC, et al. Hyperventilation in severe diabetic ketoacidosis. Pediatr Crit Care Med. 2005 Jul;6(4):405-11. [6]. Klepper J, et al. Effects of the ketogenic diet in the glucose transporter 1 deficiency syndrome. Prostaglandins Leukot Essent Fatty Acids. 2004 Mar;70(3):321-7. [7]. Snyderman SE, et al. Succinyl-CoA:3-ketoacid CoA-transferase deficiency. Pediatrics. 1998 Apr;101(4 Pt 1):709-11. |
Chemical & Physical Properties
| Density | 1.182g/cm3 |
|---|---|
| Boiling Point | 237.7ºC at 760mmHg |
| Molecular Formula | C4H6O3 |
| Molecular Weight | 102.08900 |
| Flash Point | 111.8ºC |
| Exact Mass | 102.03200 |
| PSA | 54.37000 |
| LogP | 0.05010 |
| Index of Refraction | 1.427 |
| InChIKey | WDJHALXBUFZDSR-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(=O)O |
Safety Information
| Risk Phrases | R36/37 |
|---|---|
| Safety Phrases | S26-S36 |
| RIDADR | UN 1759 |
| Packaging Group | III |
| HS Code | 2918300090 |
Customs
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
Synonyms
| 3-KETOBUTYRATE |
| ACETOACETATE |
| 3-ketobutyric acid |
| acetacetic acid |
| 3-oxobutanate |
| diacetic acid |
| acetoncarboxylic acid |
| Acetoacetic Acid |
| 3-Oxobutyric acid |
| Acetyl acetic acid |
