Tributyl phosphate(TBP) - AR, ≥99%, used for Tributyl phosphate (TBP) was used as defoamers and/or plasticizers, in fuel reprocessing and extraction. various applications , CAS No.126-73-8

CAS: 126-73-8 Cat. No.: T100707 Formula: C₁₂H₂₇O₄P Molecular Weight: 266.32 Beilstein Registry Number: 1710584 EC Number: 204-800-2 PubChem CID: 31357

GRADE & PURITY AR, ≥99%

Synonyms

Tri-n-butyl phosphate | Butyl phosphate | TBP | TBPA | NSC-8484 | NSC8484

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

The microbial degradation of tributyl phosphate was carried out using Klebsiella pneumoniae S3 isolated from the soil. The solubilization behavior of TBP in aqueous solutions of L64-Pluronics was studied using light and small angle neutron scattering (SANS). Tributyl phosphate (TBP) is an organophosphate compound widely used as an extraction solvent, flame retardant, and plasticizer.

Specifications

Synonyms

Tri-n-butyl phosphate | Butyl phosphate | TBP | TBPA | NSC-8484 | NSC8484

Specifications & Purity

AR, ≥99%

Application

Tributyl phosphate (TBP) was used as defoamers and/or plasticizers, in fuel reprocessing and extraction.

Storage

Room temperature,Desiccated

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

Pubchem Sid

508815670

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508815670

Canonical Smiles

CCCCOP(=O)(OCCCC)OCCCC

IUPAC Name

tributyl phosphate

InChIKey

STCOOQWBFONSKY-UHFFFAOYSA-N

INCHI

1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCCCC

WGK Germany

2

RTECS

TC7700000

PubChem CID

31357

Molecular Weight

266.32

Beilstein

1710584

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• External Descriptors: trialkyl phosphate

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

Associated Targets(Human)

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with diethyl ether, benzene, carbon disulfide and ethanol. Slightly miscible with water.
• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.425
• x_flash_point_drop_fahrenheit: 293 °F
• x_flash_point_drop_centigrade: 146℃
• x_boil_point_char: 180-183°C
• x_melt_point_char: -79°C
• Molecular Weight: 266.310 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 266.165 Da
• Monoisotopic Mass: 266.165 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 175.000
• 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