CAS Number4023-65-8
Synonymstrans-1,2,3-Propenetricarboxylic acid; traps-Aconitlc acid; 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; 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
Molecular FormulaHO2CCH2C(CO2H)=CHCO2H
Molecular Weight174.11
Purity98%
Density1.7±0.1 g/cm3
Boiling Point542.6±50.0 °C at 760 mmHg
Melting Point190 °C (dec.) (lit.)
Appearancesolid
EINECS223-688-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4023-65-8 |
| Catalog No. | 2A-9030478 |
| Chinese Name | 反式乌头酸 |
| Synonyms | trans-1,2,3-Propenetricarboxylic acid; traps-Aconitlc acid; 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; 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 |
| Molecular Formula | HO2CCH2C(CO2H)=CHCO2H |
| Molecular Weight | 174.11 |
| Purity | 98 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 542.6±50.0 °C at 760 mmHg |
| Melting Point | 190 °C (dec.) (lit.) |
| Appearance | solid |
| Storage Condition | Store in a sealed, cool and dry place. |
| Application | trans-Aconitic acid exists in normal human urine and may be present in large amounts in Reye syndrome and organic aciduria. trans-Aconitic acid is a substrate for trans-pyruvate 2-methyltransferase. |
| EINECS | 223-688-6 |
| HTC | 2917190090 |
| PubChem ID | 24847505 |
| MDL Number | MFCD00002721 |
| SMILES | OC(=O)C\C(=C/C(O)=O)C(O)=O |
| InChI | 1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Beilstein/REAXYS | 1725830 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/30478_1_4023_65_8.pdf |
| Bioactivity | 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 Aldehydes Research 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 |
| Use of | 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. Properties Articles12 Name trans-aconitic acid Synonym More Synonyms (E)-Aconitic Acid Biological Activity 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 Aldehydes Research Areas >> Others 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 Molecular Formula C6H6O6 Exact Mass 174.016434 PSA 111.90000 Index of Refraction 1.571 InChIKey GTZCVFVGUGFEME-HNQUOIGGSA-N SMILES O=C(O)C=C(CC(=O)O)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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