Triethyl citrate(TEC) - ≥98% , CAS No.77-93-0

CAS: 77-93-0 Cat. No.: T106153 Fórmula: C₁₂H₂₀O₇ Peso molecular: 276.28 Beilstein Registry Number: 1801199 Número EC: 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

Descripción general

Triethyl citrate was used as a plasticizer in the study of the feasibility of near-infrared (NIR) spectroscopy in determining the influence of plasticizer levels and sintering temperature on the breaking force of extended-release matrix tablets prepared by roller-compaction

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504751106

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

1

RTECS

GE8050000

PubChem CID

6506

Peso molecular

276.28

Beilstein

1801199

Reaxy-Rn

1801199

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with water, alcohol and diethyl ether.
• Índice de refracción: 1.44-1.443
• Punto de inflamación (°F): 311 °F
• Punto de inflamación (°C): 155℃
• Punto de ebullición (°C): 235°C
• Punto de fusión (°C): -46°C
• Peso molecular: 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

Preguntas frecuentes

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.