Propan-1,2,3-tricarbonsure
1,2,3-Propanetricarboxylic acid
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Grundinformationen
- CAS
99-14-9- Standard-SMILES
O=C(O)CC(CC(=O)O)C(=O)O- InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N- Summenformel
- C6H8O6
- Durchschnittliche Molmasse
- 176,12 g/mol
- Monoisotopische Masse
- 176,03208798
Überblick
Tricarballylic acid is a tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group. It is a conjugate acid of a tricarballylate.
Namen und Bezeichner
- Bevorzugter Name
- 1,2,3-Propanetricarboxylic acid
- IUPAC
- propane-1,2,3-tricarboxylic acid
- Lokaler Name
- Propan-1,2,3-tricarbonsure
- Englischer Name
- Tricarballylic acid
- Summenformel
- C6H8O6
- Molmasse
- 176.12
Namen und Synonyme
Tricarballylic acid99-14-91,2,3-Propanetricarboxylic acidCarballylic acidbeta-Carboxyglutaric acidPropane 1,2,3-tricarboxylic acid3-carboxypentanedioic acidcarboxymethylsuccinic acidCHEBI:45969PROPANE TRICARBOXYLIC ACIDNSC-2347RA5QH2J020
Weitere Namen anzeigen
Tricarballylicacid,99%TricarbaLAKOS 223-48Tricarballylate(Hoocch2)2chcoohricarballylicacitricarallylic acid
DTXSID8059186RefChem:899162DTXCID3049095202-733-3Propane-1,2,3-tricarboxylatePropane-1,2,3-tricarboxylic acid3-carboxyglutaric acid1,2,3-Propanetricarboxylicacid
Datenbank-Bezeichner
- CAS
99-14-9- PubChem CID
- 14925
- DTXSID
DTXSID8059186
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 192
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3.32E+05 mg/L @ 18C (exp)
Melting Point166 °C
Physical Description
Solid; [Merck Index] Crystalline solid; [Alfa Aesar MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 · 156-161 °C(lit.)
- Siedepunkt
- 227.71 °C · 227.71°C (rough estimate)
- Dichte
- 1.3744 · 1.3744 (rough estimate)
- Brechungsindex
- 1.586 · 1.5860 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: 50 mg/mL, clear
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.4% (6 of 94) of reports.
Warning
H315 (93.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid
Commission Regulation (EC) No 451/2000
1,2,3-Propanetricarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (93.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesProduced by rumen bacteria and is a component of fumonisin mycotoxins; [Merck Index]
General Manufacturing Information1,2,3-Propanetricarboxylic acid: ACTIVE
Anwendungen
VerwendenIt is used as an alternative to DMDHEU (formaldehyde releasing cross- linking agent).
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.
Zugehörige Reaktionen
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