Tributyl citrate - ≥98% , CAS No.77-94-1

CAS: 77-94-1 Cat. No.: T105179 Peso molecular: 360.44 Beilstein Registry Number: 1806072 Número EC: 201-071-2 PubChem CID: 6507

GRADE & PURITY ≥98%

Synonyms

Citroflex c 4 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester | Tributyl 2-Hydroxypropane-1,2,3-tricarboxylate (Tributyl Citrate) | Tributyl citrate | InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4

Storage

Room temperature

Shipped In

Normal

Descripción general

Tributyl citrate is a common solvent and plasticizer for polymers like PVC and its copolymers that are used in food wrapping films. Also, it is a common plasticizer employed in food contact materials, cosmetics, and food additives.
Tributyl citrate can be used:
To incorporate in zein film to enhance its mechanical properties for industrial processing.
As a plasticizer to improve the ductile properties of poly(lactide) polymers.

Specifications

Sinónimos

Citroflex c 4 | 1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester | Tributyl 2-Hydroxypropane-1, 2, 3-tricarboxylate (Tributyl Citrate) | Tributyl citrate | InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22, 17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H, 4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180082
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180082
• Sonrisas canónicas: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
• IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate
• InChIKey: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
• INCHI: 1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
• Isómeros SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
• WGK Alemania: 1
• RTECS: TZ8608000
• PubChem CID: 6507
• Peso molecular: 360.44
• Beilstein: 1806072
• Reaxy-Rn: 1806072

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

Propiedades químicas y físicas

• Solubilidad: Immiscible with water.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.443-1.446
• Punto de inflamación (°C): 157℃
• Punto de ebullición (°C): 233 °C/22 mmHg
• Punto de fusión (°C): -20°C
• Peso molecular: 360.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 360.215 Da
• Monoisotopic Mass: 360.215 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 382.000
• 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

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