Dibutyl Phosphate(DBP) - ≥96% , CAS No.107-66-4

CAS: 107-66-4 Cat. No.: D398925 Formula: C₈H₁₉O₄P Molecular Weight: 210.21 Beilstein Registry Number: 607224 EC Number: 203-509-8

GRADE & PURITY ≥96%

Synonyms

DIBUTYL PHOSPHATE|107-66-4|Dibutyl hydrogen phosphate|Di-n-butyl phosphate|Dibutylphosphate|Di-n-butylphosphoric acid|Phosphoric acid, dibutyl ester|di-n-butylphosphate|Phosphoric acid dibutyl ester|DTXSID3040728|0072NN74TN|Dibutyl acid phosphate|DP 4 (co

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

DIBUTYL PHOSPHATE | 107-66-4 | Dibutyl hydrogen phosphate | Di-n-butyl phosphate | Dibutylphosphate | Di-n-butylphosphoric acid | Phosphoric acid, dibutyl ester | di-n-butylphosphate | Phosphoric acid dibutyl ester | DTXSID3040728 | 0072NN74TN | Dibutyl acid phosphate | DP 4 (co

Specifications & Purity

≥96%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Pubchem Sid

504751491

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751491

Canonical Smiles

CCCCOP(=O)(O)OCCCC

IUPAC Name

dibutyl hydrogen phosphate

InChIKey

JYFHYPJRHGVZDY-UHFFFAOYSA-N

INCHI

1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)

Isomeric SMILES

CCCCOP(=O)(O)OCCCC

WGK Germany

1

RTECS

TB9605000

UN Number

1718

Packing Group

III

Molecular Weight

210.21

Beilstein

607224

Reaxy-Rn

607224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607224&ln=

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 Dialkyl 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: Dialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl 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 dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

• Solubility: It is insoluble in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.43
• Flash Point(°F): 314.6 °F
• Flash Point(°C): 196 °C
• Boil Point(°C): 250°C
• Melt Point(°C): -13 °C
• Molecular Weight: 210.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 210.102 Da
• Monoisotopic Mass: 210.102 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 146.000
• 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