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Triammoniumcitrat

Triammonium citrate

HCID 18954
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Grundinformationen

CAS
3458-72-8
Standard-SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]
InChIKey
YWYZEGXAUVWDED-UHFFFAOYSA-N
Summenformel
C6H8O7.3H3N
Durchschnittliche Molmasse
243,22 g/mol
Monoisotopische Masse
243,10664988

Überblick

Triammonium citrate is a citrate salt in which all three carboxy groups are deprotonated and associated with ammonium ions as counter-cations. It has a role as a buffer and a food emulsifier. It is an ammonium salt and a citrate salt.

Namen und Bezeichner

Bevorzugter Name
Triammonium citrate
IUPAC
triazanium;2-hydroxypropane-1,2,3-tricarboxylate
Lokaler Name
Triammoniumcitrat
Englischer Name
Ammonium citrate tribasic
Summenformel
C6H8O7.3H3N
Molmasse
243.21

Namen und Synonyme

Triammonium citrate3458-72-8Ammonium citrate tribasicAmmonium citrate (3:1)Citric acid triammonium salt1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt2-Hydroxy-1,2,3-propanetricarboxylic acid triammonium salttriammonium 2-hydroxypropane-1,2,3-tricarboxylateAMMONIUM CITRATE, TRIBASICEINECS 222-394-5J90A52459RINS NO.380
Weitere Namen anzeigen
AMMONIUM CITRATECITRIC ACID DIAMMONIUM SALTAmmonium CitarteriammoniumcitrateTri-Ammoniumcitrat2-Hydroxy-1,2,3-propTri-AmmoniumCitrateGrCitrate (Triammonium)CITRIC ACID, DIAMMONIUM
CHEBI:63037AMMONIUM CITRATE [MART.]DTXSID10889469INS-380tri(azaniumyl) 2-hydroxypropane-1,2,3-tricarboxylateAMMONIUM CITRATE, TRIBASIC [FCC]1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3)2-hydroxy-1,2,3-propanetricarboxylic acid, ammonium salt (1:3)

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
144 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
2
Schwere Atome
16
Formalladung
0
Komplexität
211

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Ammonium Compounds
SolubilityFreely soluble in water
Physical Description · 3 Einträge

Liquid

White to off-white crystals or powder

White solid; [JECFA] White crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
185 °C · 185 °C (dec.) (lit.)
Siedepunkt
100 °C · 100 °C (lit.)
Dichte
1 g/mL · 1 g/mL at 25 °C (lit.)
Dampfdichte
1.8 · 1.8 (vs air)
Dampfdruck
0 Pa · 0Pa at 25℃
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
2 O: · H2O: 1 M at 20 °C, clear, colorless
Aggregatzustand
Crystals
Farbe
White to off-white

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 · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.5% (7 of 278) of reports.

Warning

H315 (45%): 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 278 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30305

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt: Human health tier I assessment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Citric acid.
Hazard Classes and CategoriesSkin Irrit. 2 (45%)

Sicherheitsdaten

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a buffering agent; [JECFA]
U.S. Production2023: 155,604 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
Use Classification · 5 Einträge

Food additives

Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes

Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes

Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes

Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3): ACTIVE

Anwendungen · 1 Eintrag

VerwendenAmmonium citrate tribasic is mainly used for chemical analysis, in industry for water treatment, in food industry for buffering agent and emulsifier, for metal surface cleaning (in particular petroleum pipeline cleaning), as a ceramic dispersant,as auxiliary infiltration agent, as detergent material and as soil improvement agent component.Ammonium citrate tribasic is applied in electroplating industry for non cyanide plating complexing agent, used mostly for preparing anti rust agent in machinery industry and as buffering agent. It serves as a chemical reagent in analytical chemistry to determine the efficient phosphate levels in phosphate salts and fertilizer.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Ammoniak, wasserfrei

Zugehörige Reaktionen

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Datenbank-Bezeichner

CAS
3458-72-8
PubChem CID
18954
DTXSID
DTXSID10889469
ChEBI
CHEBI:63037
UNII
J90A52459R
EC Number
222-394-5
PH
7.5 · 7.5(1 mM solution);7.4(10 mM solution);7.32(100 mM solution);8.18(1000 mM solution)
Wasserlöslichkeit
Soluble in water. Slightly soluble in alcohol.
BRN
3779194 · 3779194
Stabilität
Stable. Incompatible with strong oxidizing agents.
Major Application
diagnostic assay manufacturing
InChI
1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKey
YWYZEGXAUVWDED-UHFFFAOYSA-N
SMILES
N.N.N.OC(=O)CC(O)(CC(O)=O)C(O)=O
LogP
-1.43 at · -1.43 at 25℃
CAS Datenbank
3458 · 3458-72-8(CAS DataBase Reference)
EPA chemische Informationen
1 · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt (3458-72-8)
F
8
wgk
3
tsca
TSCA listed
hs_code
29181500
RTECS-Nr.
GE7545000
risk_code
36/37-36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2
Zitronensure

Nachgelagerte Produkte

Hexaammoniumwolframat
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Triammonium citrate is a citrate salt in which all three carboxy groups are deprotonated and associated with ammonium ions as counter-cations. It has a role as a buffer and a food emulsifier. It is an ammonium salt and a citrate salt.