Triphenyl Phosphate-d15 - ≥98 atom% D , CAS No.1173020-30-8

CAS: 1173020-30-8 Cat. No.: T338242 Molecular Weight: 341.38 EC Number: 106-352-2 PubChem CID: 71309050

GRADE & PURITY ≥98 atom% D

Synonyms

Triphenyl Phosphate D15 | D98090 | HY-Y1322S | Triphenyl phosphate-d15 | Phen-2,3,4,5,6-d5-ol, 1,1',1''-phosphate; Triphenylphosphate D15 | DTXSID001016870 | SCHEMBL1332857 | Triphenyl phosphate D15 100 microg/mL in Cyclohexane | Tris(2,3,4,5,6-pentadeute

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Triphenyl Phosphate D15 | D98090 | HY-Y1322S | Triphenyl phosphate-d15 | Phen-2, 3, 4, 5, 6-d5-ol, 1, 1', 1''-phosphate; Triphenylphosphate D15 | DTXSID001016870 | SCHEMBL1332857 | Triphenyl phosphate D15 100 microg/mL in Cyclohexane | Tris(2, 3, 4, 5, 6-pentadeute

Specifications & Purity

≥98 atom% D

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98 atom% D

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
• IUPAC Name: tris(2,3,4,5,6-pentadeuteriophenyl) phosphate
• InChIKey: XZZNDPSIHUTMOC-KLHTYYPYSA-N
• INCHI: 1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])OP(=O)(OC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])OC3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• PubChem CID: 71309050
• Molecular Weight: 341.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphotriesters
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl phosphotriester - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 341.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 341.165 Da
• Monoisotopic Mass: 341.165 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 15
• 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

1. Xiaomeng Ji, Jiale Liu, Jiefeng Liang, Xiaoxia Feng, Xiaoyun Liu, Yingjun Wang, Xiangfeng Chen, Guangbo Qu, Bing Yan, Runzeng Liu.  (2024)  The hidden diet: Synthetic antioxidants in packaged food and their impact on human exposure and health.  ENVIRONMENT INTERNATIONAL,      [PMID:38555663] [10.1016/j.envint.2024.108613]

2. Xinyan Li, Dongmei Lai, Yao Yao, Jiewei Deng, Lijuan Luo, Xiaoping Liang, Tiangang Luan.  (2026)  Structural Analogs TOCP and TPHP Induce Immunotoxicity in Zebrafish through Divergent Disruption of Energy Metabolism.  ENVIRONMENTAL POLLUTION,      [PMID:41765072] [10.1016/j.envpol.2026.127899]

3. Xiaomeng Ji, Mengfan Tian, Jiefeng Liang, Xiaoyun Liu, Xiaoxia Feng, Guangbo Qu, Runzeng Liu.  (2026)  Decoding chemicals of emerging concern in personal hygiene products: Exposure implications for vulnerable populations.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:] [10.1016/j.jhazmat.2026.141678]