2-Ethylhexyl Diphenyl Phosphate - ≥90% , CAS No.1241-94-7

CAS: 1241-94-7 Cat. No.: E107766 Fórmula: C₂₀H₂₇O₄P Peso molecular: 362.4 Número CE: 214-987-2

GRAU & PUREZA ≥90%

Synonyms

(+/-)-OCTICIZER | 2-Ethylhexyl diphenyl ester phosphoric acid | DIPHENYL-2-ETHYLHEXYL PHOSPHATE | 2-Ethylhexyl diphenyl phosphate (technical) | BRN 2568983 | 4-06-00-00718 (Beilstein Handbook Reference) | DTXCID105300 | Octicizer [USAN] | 2-Ethylhexyl dip

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

(+/-)-OCTICIZER | 2-Ethylhexyl diphenyl ester phosphoric acid | DIPHENYL-2-ETHYLHEXYL PHOSPHATE | 2-Ethylhexyl diphenyl phosphate (technical) | BRN 2568983 | 4-06-00-00718 (Beilstein Handbook Reference) | DTXCID105300 | Octicizer [USAN] | 2-Ethylhexyl dip

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

AGONIST

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

508808011

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808011

Sorrisos canónicos

CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

IUPAC Name

2-ethylhexyl diphenyl phosphate

InChIKey

CGSLYBDCEGBZCG-UHFFFAOYSA-N

INCHI

1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3

SMILES isoméricas

CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

WGK Alemanha

2

RTECS

TC6125000

Número UN

3082

Grupo de embalagem

III

Peso molecular

362.4

Reaxy-Rn

2568983

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2568983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphotriesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphotriesters
• Alternative Parents: Phenoxy compounds Monoalkyl phosphates Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl phosphotriester - Phenoxy compound - Monoalkyl phosphate - Benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
• 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Degree of Solubility in water: 1.9 mg/l 25 °C
• Índice de refração: 1.506～1.512
• Ponto de inflamação (°C): 224°C
• Ponto de ebulição (°C): 375°C
• Ponto de fusão (°C): -30°C(lit.)
• Peso molecular: 362.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 362.165 Da
• Monoisotopic Mass: 362.165 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 365.000
• 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