CAS 4023-65-8|(E)-Aconitic Acid
| Common Name | (E)-Aconitic Acid | ||
|---|---|---|---|
| CAS Number | 4023-65-8 | Molecular Weight | 174.108 |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 542.6±50.0 °C at 760 mmHg |
| Molecular Formula | C6H6O6 | Melting Point | 190 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 296.0±26.6 °C |
Names
| Name | trans-aconitic acid |
|---|---|
| Synonym | More Synonyms |
(E)-Aconitic Acid BiologicalActivity
| Description | trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. |
|---|---|
| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
| Target | Human Endogenous Metabolite |
| References | [1]. Montoya G, et al. Quantitation of trans-aconitic acid in different stages of the sugar-manufacturing process. J Agric Food Chem. 2014 Aug 20;62(33):8314-8. |
Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 542.6±50.0 °C at 760 mmHg |
| Melting Point | 190 °C (dec.)(lit.) |
| Molecular Formula | C6H6O6 |
| Molecular Weight | 174.108 |
| Flash Point | 296.0±26.6 °C |
| Exact Mass | 174.016434 |
| PSA | 111.90000 |
| LogP | 0.63 |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| SMILES | O=C(O)C=C(CC(=O)O)C(=O)O |
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | UD2380000 |
| HS Code | 2917190090 |
Customs
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles12
More Articles| HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 37(Database issue) , D603-10, (2009) The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, ... | |
| Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach. J. Nutr. 142(1) , 14-21, (2012) Urine and plasma metabolites originate from endogenous metabolic pathways in different organs and exogenous sources (diet). Urine and plasma were obtained from advanced cancer patients and investigate... | |
| SPE-NMR metabolite sub-profiling of urine. Anal. Bioanal. Chem 404(8) , 2349-61, (2012) NMR-based metabolite profiling of urine is a fast and reproducible method for detection of numerous metabolites with diverse chemical properties. However, signal overlap in the (1)H NMR profiles of hu... |
Synonyms
| trans-1,2,3-Propenetricarboxylic acid |
| traps-Aconitlc acid |
| 1-Propene-1,2,3-tricarboxylic acid, (1E)- |
| 1-Propene-1-trans-2,3-tricarboxylic acid |
| trans Aconitic acid |
| trans-aconitic acid |
| equisetic acid |
| trans-Aconitate |
| ACONITIC ACID,TRANS |
| Aconitic acid |
| (E)-1-Propene-1,2,3-tricarboxylic Acid |
| (1E)-prop-1-ene-1,2,3-tricarboxylic acid |
| Aconitic acid, trans- |
| prop-1-ene-1,2,3-tricarboxylic acid |
| PROPENE-1,2,3-TRICARBOXYLIC ACID |
| (1E)-1-Propene-1,2,3-tricarboxylic acid |
| ACHILLEIC ACID |
| citridic acid |
| (E)-propene-1,2,3-tricarboxylic acid |
| trans-propene-1,2,3-tricarboxylic acid |
| MFCD00002721 |
| EINECS 223-688-6 |
| trans-1-Propene-1,2,3-tricarboxylic Acid |
