HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Butan-1,2,3,4-tetracarbonsure
BTCA · 1,2,3,4-ButaneTetraCarboxylic · 1,2,3,4-Butanetetrac · Butanetetraacetic acid · butanetetracarboxylicacid · 1,2,3,4-TETRACARBOXYBUTANE · 1,2,3,4-ButanetetracarboxyL · 1,2,3,4-BUTANETETRACARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 1703-58-8 |
|---|---|
| Summenformel | C8H10O8 |
| Durchschnittliche Molmasse | 234,16 g/mol |
| Monoisotopische Masse | 234,03756728 g/mol |
| SMILES | O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O |
| InChIKey | GGAUUQHSCNMCAU-UHFFFAOYSA-N |
| PubChem CID | 15560 |
| ChEMBL | CHEMBL1574612 |
| EC No. | 216-938-0 |
| DTXSID | DTXSID6024670 |
| Lokaler Name | Butan-1,2,3,4-tetracarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 288 |
| Stoffklassen | Other Classes -> Organic Acids |
| Löslichkeit | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)118g/l>=10 g/100 mL at 19 ºC |
| Schmelzpunkt | 385 °F (NTP, 1992)193-197 °C |
| Physical Description | Leaflets (from water) or white powder. (NTP, 1992)Solid[CAMEO] Off-white powder[Alfa Aesar MSDS] |
| Collision Cross Section | 137.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6024670] |
| Siedepunkt | 296.47°C (rough estimate) |
| Dichte | 1.5040 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1: 3.43pK2: 4.58pK3: 5.85pK4: 7.16 (25°C) |
| Farbe | White |
| BRN | 1729167 |
| InChI | 1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16) |
| InChIKey | GGAUUQHSCNMCAU-UHFFFAOYSA-N |
| SMILES | OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O |
| LogP (Verteilungskoeffizient) | -1.41 at 25℃ |
| CAS Datenbank | 1703-58-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2,3,4-Butanetetracarboxylic acid (1703-58-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 199) of reports.WarningH302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 199 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2,3,4-Butanetetracarboxylic acidStatus: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19698 |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992) |
| Gefahrenübersicht | No developmental toxicity or teratogenicity observed in rats at doses maternally toxic (1 mortality, reduced body weight, and reduced weight gain at the highest dose of 1,000 mg/kg/day)[NTP] A severe eye irritant[RTECS] An irritant that may cause serious eye injuryHarmful by ingestion[Alfa Aesar MSDS] |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | 1,2,3,4-BUTANETETRACARBOXYLIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions |
Anwendungen & Verwendung
Verwenden
1,2,3,4-Butanetetracarboxylic acid is used as a cross linking agent to prepare cotton cellulose in order to improve anti-prilling and flame retardant properties. It is used as a spacer in the cross-linking of titania nanoparticles to cotton. Further, it is used as a nonformaldehyde durable press finishing agent.
Herstellung & Synthese
synthetische
1,2,3,4-butanetetracarboxylic acid is obtained by oxidation of tetrahydrophthalic anhydride.1,2,3,4-butanetetracarboxylic acid is prepared by oxidative cleavage of tetraphthalic acid or anhydride by oxidation with ozone-containing gas, followed by oxygen-containing gas, with the mixture then being heated with a peroxide, e.g. H2 O2, at 100° C. to produce the butanetetracarboxylic acid.Process for preparing 1,2,3,4-butanetetracarboxylic acid