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2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole

CAS: 123307-21-1 | C20H25N3O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 123307-21-1
Molecular Formula: C20H25N3O
Molecular Weight: 323.44000000000005 g/mol

Names and Synonyms:

2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole
UVA 5411
ADK Stab LA 29
LA 29
Songsorb 3290
UVA 235
Biosoap 583
Fisorb 329
BLS 5411
2-(2H-Benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
Seesorb 709G
1268A
2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
2-(2H-Benzotriazol-2-yl)-4-tert-octylphenol
JF 83
Eversorb 72
Uvinul 3029
Chisorb 5411
UV 329
Kemisorb 79
UV 5411
2-(5′-tert-Octyl-2′-hydroxyphenyl)benzotriazole
2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole
2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole
Seesorb 709
2-[2′-Hydroxy-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole
2-(2-Hydroxy-5-t-octylphenyl)benzotriazole
2-(2′-Hydroxy-5′-tert-octylphenyl)benztriazole
2-(2′-Hydroxy-5′-tert-octylphenyl)benzotriazole
Tinuvin 329
Viosorb 583
Sumisorb 340
2-Benzotriazolyl-4-tert-octylphenol
Spectra-Sorb UV 5411
2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole
Cyasorb 5411
Octrizole
Cyasorb UV 5411
2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-

Identifiers:

SMILES:
CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChI:
InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 323.44000000000005 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 323.19976242 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 24 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 50.94 Ų RDKit

Physical Properties

Property Value Source
LogP 4.839900000000005 RDKit
molecular_mass 323.44 g/mol Legacy Database
cas-canonical-smile OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C None Legacy Database
cas-inchi InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 None Legacy Database
cas-inchi-key InChIKey=IYAZLDLPUNDVAG-UHFFFAOYSA-N None Legacy Database
cas-melting-point 104.0-105.2 °C @ Solvent: Methanol None Legacy Database
cas-name 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole None Legacy Database

Molar

Property Value Source
Molar Refractivity 97.62780000000005 RDKit

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