Dioctyl phenylphosphonate(DOPP) - ≥95% , CAS No.1754-47-8

CAS: 1754-47-8 Cat. No.: D344135 Molecular Weight: 382.52 Beilstein Registry Number: 2948496 EC Number: 217-142-6

GRADE & PURITY ≥95%

Synonyms

AS-65243 | NSC 3224 | WLN: 8VOPO&R&OV8 | Dioctyl phenylphosphonate | dioctoxyphosphorylbenzene | AKOS017343257 | DTXSID1061946 | AI3-18197 | BAA75447 | EINECS 217-142-6 | BRN 2948496 | BETA-METHYLLEVULINICACID | Di-n-octylphenylphosphonat | Phenylphosphon

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Plasticizer employed in ion-selective electrodes.

Specifications

Synonyms

AS-65243 | NSC 3224 | WLN: 8VOPO&R&OV8 | Dioctyl phenylphosphonate | dioctoxyphosphorylbenzene | AKOS017343257 | DTXSID1061946 | AI3-18197 | BAA75447 | EINECS 217-142-6 | BRN 2948496 | BETA-METHYLLEVULINICACID | Di-n-octylphenylphosphonat | Phenylphosphon

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC
• IUPAC Name: dioctoxyphosphorylbenzene
• InChIKey: HAKMAMKAFTZXOZ-UHFFFAOYSA-N
• INCHI: 1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
• Isomeric SMILES: CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC
• RTECS: TA0379000
• Molecular Weight: 382.52
• Beilstein: 2948496
• Reaxy-Rn: 2948496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2948496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphonic acid diesters
• Alternative Parents: Phosphonic acid esters Benzene and substituted derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl group).
• 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

• Sensitivity: Moisture sensitive;light sensitive;heat sensitive
• Boil Point(°C): 219-220° C at 0.7 mmHg
• Molecular Weight: 382.500 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 382.264 Da
• Monoisotopic Mass: 382.264 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 331.000
• 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

References

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2. Yuyang Zhou, Yichao Lin, Benjamin Tawiah, Jun Sun, Richard K.K. Yuen, Bin Fei.  (2021)  DOPO-Decorated Two-Dimensional MXene Nanosheets for Flame-Retardant, Ultraviolet-Protective, and Reinforced Polylactide Composites.  ACS Applied Materials & Interfaces,      [PMID:33939405] [10.1021/acsami.1c05587]

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4. Luze Wang, Boyu Cai, Wendi Xu, Zhonglin Luo, Biaobing Wang.  (2024)  A functional phosphorus/nitrogen-containing compound for endowing epoxy resin simultaneously with better fire safety, comparable transparency and improved toughness.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (27): (e55617).  [PMID:] [10.1002/app.55617]

5. Miaomiao Tian, Yajie Chen, Qiaoran Zhang, Xiaowei Zhao, Xiaohong Li, Zhijun Zhang, Zhiwei Li.  (2024)  DOPO chemically modified mesoporous silica composites: Preparation, flame retardancy, and thermodynamic properties.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (42): (e56100).  [PMID:] [10.1002/app.56100]

6. Yonghao Lv, Hongyan Li, Zhu-Bao Shao, Zhiming Jiang.  (2025)  One-pot solvent-free synthesis of self-catalyzed phosphorus/silicon cycloaliphatic epoxy resin with excellent flame-retardant and dielectric property.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128087]

7. Tianchen Zhang, Fei Song, Zheng Pan, Baozheng Zhao, Linfeng Tian, Li Tan, Rui Yang, Yijiao Xue, Meng Zhang, Yonghong Zhou.  (2024)  Sustainable castor oil-based microcellular polyurethane foam with desirable flame retardancy, vibration damping performance and recyclability.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.119355]

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9. Xueying Shan, Qixin Huang, Jiao Gao, Hanchao Liu, Jingru Wang, Jinchun Li.  (2025)  Synthesis of a novel chitosan Schiff base flame retardant for simultaneous improvement of fire safety, UV shielding and toughness of epoxy resins.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2025.103240]