2-Ethylhexyl Phosphate (Mono- and Di- Ester mixture) - Acid value(KOH mg/g):286~326 , CAS No.12645-31-7

CAS: 12645-31-7 Cat. No.: E302314 Número EC: 235-741-0

GRADE & PURITY Acid value(KOH mg/g):286~326

Synonyms

(2-Ethylhexyl)orthophosphate | 2-Ethylhexyl acid phosphate | 2-ethylhexyl phosphoric acid | 2-ethyl hexyl phosphate | DTXSID8035184 | Phosphoric acid,mono(2-ethylhexyl) ester | DSSTox_CID_7740 | HSDB 2594 | 1-Hexanol, 2-ethyl-, dihydrogen phosphate | mono

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

(2-Ethylhexyl)orthophosphate | 2-Ethylhexyl acid phosphate | 2-ethylhexyl phosphoric acid | 2-ethyl hexyl phosphate | DTXSID8035184 | Phosphoric acid, mono(2-ethylhexyl) ester | DSSTox_CID_7740 | HSDB 2594 | 1-Hexanol, 2-ethyl-, dihydrogen phosphate | mono

Especificaciones y pureza

Acid value(KOH mg/g):286~326

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504752516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752516
• Sonrisas canónicas: CCCCC(CC)COP(=O)(O)O
• IUPAC Name: 2-ethylhexyl dihydrogen phosphate
• InChIKey: LJKDOMVGKKPJBH-UHFFFAOYSA-N
• INCHI: 1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
• Isómeros SMILES: CCCCC(CC)COP(=O)(O)O
• Reaxy-Rn: 1908502
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908502&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Ethanol,Toluene
• Índice de refracción: 1.44
• Punto de inflamación (°C): flash point >100 °C
• Punto de ebullición (°C): >180 °C/1013 hPa (decomposes)
• Peso molecular: 210.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.102 Da
• Monoisotopic Mass: 210.102 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Hongtao Liu, Xueli Wang, Wenjie Zhang, Jiawei Wen, Junlian Wang, Jianzhong Ye, Youbei Zhan, Guoyong Huang, Shengming Xu.  (2025)  Acid-free process for selective and efficient recovery of molybdenum from spent hydrodesulfurization catalysts.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:40121983] [10.1016/j.jenvman.2025.125029]