Tripropyl phosphate - ≥98% , CAS No.513-08-6

CAS: 513-08-6 Cat. No.: T109728 Formula: C₉H₂₁O₄P Molecular Weight: 224.23 EC Number: 208-151-6 PubChem CID: 10546

GRADE & PURITY ≥98%

Synonyms

AKOS005720840 | D97474 | InChI=1/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3 | RXPQRKFMDQNODS-UHFFFAOYSA-N | UNII-83JIW9359Y | AS-57165 | SCHEMBL104844 | DTXSID4052712 | PROPYL PHOSPHATE ((PRO)3PO) | BBL011534 | Tripropyl phosphate (TPrP) | Ph

Storage

Room temperature

Shipped In

Normal

Overview

Tripropyl phosphate is an organophosphorus flame retardant and plasticizer

Specifications

Synonyms

AKOS005720840 | D97474 | InChI=1/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3 | RXPQRKFMDQNODS-UHFFFAOYSA-N | UNII-83JIW9359Y | AS-57165 | SCHEMBL104844 | DTXSID4052712 | PROPYL PHOSPHATE ((PRO)3PO) | BBL011534 | Tripropyl phosphate (TPrP) | Ph

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488181143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181143

Canonical Smiles

CCCOP(=O)(OCCC)OCCC

IUPAC Name

tripropyl phosphate

InChIKey

RXPQRKFMDQNODS-UHFFFAOYSA-N

INCHI

1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3

Isomeric SMILES

CCCOP(=O)(OCCC)OCCC

WGK Germany

3

PubChem CID

10546

Molecular Weight

224.23

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: 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

Chemical and Physical Properties

• Refractive Index: 1.416
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 120-122°C
• Molecular Weight: 224.230 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 224.118 Da
• Monoisotopic Mass: 224.118 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 144.000
• 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