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

CAS: 77-93-0 Cat. No.: T106153 Formule: C₁₂H₂₀O₇ Poids moléculaire: 276.28 Beilstein Registry Number: 1801199 Numéro CE: 201-070-7 PubChem CID: 6506

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751106

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

RTECS

GE8050000

PubChem CID

6506

Poids moléculaire

276.28

Beilstein

1801199

Reaxy-Rn

1801199

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with water, alcohol and diethyl ether.
• Indice de réfraction: 1.44-1.443
• Point d'éclair (°F): 311 °F
• Point d'éclair (°C): 155℃
• Point d'ébullition (°C): 235°C
• Point de fusion (°C): -46°C
• Poids moléculaire: 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

Foire aux questions

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.