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

CAS: 1241-94-7 Cat. No.: E107766 Summenformel: C₂₀H₂₇O₄P Molekulargewicht: 362.4 EG-Nummer: 214-987-2

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

(+/-)-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

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

AGONIST

Reinheit

≥90%

Namen und Kennungen

Pubchem Sid

508808011

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

RTECS

TC6125000

UN-Nummer

3082

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Ebene5 Aryl phosphates
          • Ebene6 Aryl phosphotriesters

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Degree of Solubility in water: 1.9 mg/l 25 °C
• Brechungsindex: 1.506～1.512
• Flammpunkt (°C): 224°C
• Siedepunkt (°C): 375°C
• Schmelzpunkt (°C): -30°C(lit.)
• Molekulargewicht: 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