Bis-ethylhexyloxyphenol methoxyphenyl triazine - ≥98% , CAS No.187393-00-6

CAS: 187393-00-6 Cat. No.: B305266 Molecular Weight: 627.81 EC Number: 606-111-6

GRADE & PURITY ≥98%

Synonyms

NSC759870 | PWZ1720CBH | FAT 70'884 | 2,4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine | 6,6'-(6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(3-((2-ethylhexyl)oxy)phenol) | Bemotrizinol (USAN/INN) | BEMOTRIZINOL [USP-RS] |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Product Description

Bemotrizinol is a highly photostable, organic UV filter added to sunscreens to absorb UV rays. It is the most effective UV absorber, which protects against both UVB as well as UVA rays.

Product Application

Bemotrizinol may be used as an analytical reference standard for the determination of the analyte in topical pharmaceutical formulations by reversed-phase high-performance liquid chromatography method (RP-HPLC).

Specifications

Synonyms

NSC759870 | PWZ1720CBH | FAT 70'884 | 2, 4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1, 3, 5-triazine | 6, 6'-(6-(4-Methoxyphenyl)-1, 3, 5-triazine-2, 4-diyl)bis(3-((2-ethylhexyl)oxy)phenol) | Bemotrizinol (USAN/INN) | BEMOTRIZINOL [USP-RS] |

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488202947
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202947
• Canonical Smiles: CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
• IUPAC Name: 5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
• InChIKey: XVAMCHGMPYWHNL-UHFFFAOYSA-N
• INCHI: 1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
• Isomeric SMILES: CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
• Molecular Weight: 627.81
• Reaxy-Rn: 11322254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 81 °C
• Molecular Weight: 627.800 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 627.367 Da
• Monoisotopic Mass: 627.367 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 761.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Junzhao Su, Hongsheng Luo, Cenhuai Ma, Shide Li, Xiangjun Fu.  (2023)  Triazine-based microcapsules with synergistic ultraviolet absorptions.  MATERIALS LETTERS,      [PMID:] [10.1016/j.matlet.2023.134879]

2. Shichang Li, Shuxian Zhang, Hanyue Li, Nuoya Yin, Renjun Yang, Yang Zhang, Magdalena J. Koziol, Francesco Faiola.  (2025)  Environmental UV filters threaten human neurodevelopment: Disruption of central and peripheral nervous system lineage commitment via WNT signaling dysregulation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41110322] [10.1016/j.jhazmat.2025.140149]