Triethyl citrate(TEC) - 10mM in DMSO , CAS No.77-93-0

CAS: 77-93-0 Cat. No.: T425926 Formule: C₁₂H₂₀O₇ Poids moléculaire: 276.28 Beilstein Registry Number: 1801199 Numéro CE: 201-070-7 PubChem CID: 6506

QUALITÉ & PURETÉ 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528772175

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

• 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