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

CAS: 1241-94-7 Cat. No.: E107766 分子式: C₂₀H₂₇O₄P 分子量: 362.4 EC番号: 214-987-2

グレード＆純度 ≥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

仕様

同義語

(+/-)-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

仕様と純度

≥90%

保管条件

Room temperature

入荷

Normal

アクションタイプ

AGONIST

純度

≥90%

名前と識別子

パブケム・シド

508808011

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

TC6125000

UN番号

3082

包装グループ

III

分子量

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
    • 分類 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphotriesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water; Degree of Solubility in water: 1.9 mg/l 25 °C
• 屈折率: 1.506～1.512
• 引火点（°C）: 224°C
• 沸点（°C）: 375°C
• 融点（°C）: -30°C(lit.)
• 分子量: 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