Triethylzitrat - ≥98% , CAS No.77-93-0

CAS: 77-93-0 Cat. No.: T106153 Summenformel: C₁₂H₂₀O₇ Molekulargewicht: 276.28 Beilstein Registry Number: 1801199 EG-Nummer: 201-070-7 PubChem CID: 6506

GRADE & PURITY ≥98%

Synonyms

TRIETHYL CITRATE | TRIETHYL CITRATE [USP-RS] | Triaethylcitrat [German] | Triethyl citrate, Vetec(TM) reagent grade, 98% | Citroflex 2 | TRIETHYL CITRATE [FCC] | SR-01000883952-1 | Triethyl citrate, United States Pharmacopeia (USP) Reference Standard | TR

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Triethylcitrat wurde als Weichmacher in der Studie über die Durchführbarkeit der Nahinfrarotspektroskopie (NIR) zur Bestimmung des Einflusses des Weichmachergehalts und der Sintertemperatur auf die Bruchkraft von Tabletten mit verlängerter Wirkstofffreisetzung, die durch Walzenpressung hergestellt wurden, verwendet

Specifications

Synonyme

TRIETHYL CITRATE | TRIETHYL CITRATE [USP-RS] | Triaethylcitrat [German] | Triethyl citrate, Vetec(TM) reagent grade, 98% | Citroflex 2 | TRIETHYL CITRATE [FCC] | SR-01000883952-1 | Triethyl citrate, United States Pharmacopeia (USP) Reference Standard | TR

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751106

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751106

Kanonisches Lächeln

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

IUPAC Name

triethyl 2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

DOOTYTYQINUNNV-UHFFFAOYSA-N

INCHI

1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

Isomere SMILES

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

WGK Deutschland

1

RTECS

GE8050000

PubChem CID

6506

Molekulargewicht

276.28

Beilstein

1801199

Reaxy-Rn

1801199

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Fatty acid esters Tertiary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Tertiary alcohol - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, alcohol and diethyl ether.
• Brechungsindex: 1.44-1.443
• Flammpunkt (°F): 311 °F
• Flammpunkt (°C): 155℃
• Siedepunkt (°C): 235°C
• Schmelzpunkt (°C): -46°C
• Molekulargewicht: 276.280 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 276.121 Da
• Monoisotopic Mass: 276.121 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 77-93-0, the molecular formula is C12H20O7, and the molecular weight is 276.28 g/mol. InChIKey DOOTYTYQINUNNV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.