Tri-n-butyl phosphate(TBP) - Standard for GC, ≥99.5% , CAS No.126-73-8

CAS: 126-73-8 Cat. No.: T100709 Summenformel: C₁₂H₂₇O₄P Molekulargewicht: 266.32 Beilstein Registry Number: 1710584 EG-Nummer: 204-800-2 PubChem CID: 31357

GRADE & PURITY Standard for GC, ≥99.5%

Synonyms

TRIBUTYL PHOSPHATE | Tributilfosfato | tbpa | Tributyle (phosphate de) | Tributylphosphat | Tributylphosphate | Tri-n-butyl phosphate | Disflamoll TB | Tributylfosfaat | Butyl phosphate | Phosphoric acid, tributyl ester | Phosphoric acid tributyl ester |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

TRIBUTYL PHOSPHATE | Tributilfosfato | tbpa | Tributyle (phosphate de) | Tributylphosphat | Tributylphosphate | Tri-n-butyl phosphate | Disflamoll TB | Tributylfosfaat | Butyl phosphate | Phosphoric acid, tributyl ester | Phosphoric acid tributyl ester |

Spezifikationen & Reinheit

Standard for GC, ≥99.5%

Storage

Room temperature

Verschickt in

Normal

Note

Standard for GC

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

504753464

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753464

Kanonisches Lächeln

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

Isomere SMILES

CCCCOP(=O)(OCCCC)OCCCC

WGK Deutschland

2

RTECS

TC7700000

PubChem CID

31357

Molekulargewicht

266.32

Beilstein

1710584

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Ebene5 Alkyl phosphates
          • Ebene6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.425
• Flammpunkt (°F): 293 °F
• Flammpunkt (°C): 146℃
• Siedepunkt (°C): 180-183°C
• Schmelzpunkt (°C): -79°C
• Molekulargewicht: 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