2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol

Product Information

Molecular Formula:
C20H25N3O
Molecular Weight:
323.43
Description
UV absorber
Synonyms
OCTRIZOLE; 3147-75-9; 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole; 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol; CyasorbUV5411; 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name
2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Canonical SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
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
InChI Key
IYAZLDLPUNDVAG-UHFFFAOYSA-N
Boiling Point
471.8ºC at 760 mmHg
Melting Point
106-108ºC
Flash Point
233.6 °F
Purity
95%
Density
1.1g/cm3
Appearance
Slightly yellowish powder
Refractive Index
n20/D 1.574 (lit.)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
7.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
323.199762429 g/mol
Monoisotopic Mass
323.199762429 g/mol
Topological Polar Surface Area
50.9Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
417
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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CN-114163965-A Bi-component solvent-free polyurethane adhesive for solar backboard 2021-12-24
CN-114058271-A Adhesive film with different UV absorption wave bands and preparation method thereof 2021-12-22
JP-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
CN-113956653-A Aramid fiber reinforced polyamide composite material and preparation method thereof 2021-12-13
CN-113956765-A Anti-radiation and anti-corrosion coating and preparation method thereof 2021-12-06
JP-2022043096-A Resin composition, method for manufacturing cured relief pattern, and semiconductor device 2021-12-01
CN-113980401-A EPS foam modification-based high impact polystyrene material and preparation method thereof 2021-11-30

Literatures

PMID Publication Date Title Journal
22242929 2012-02-21 Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China Environmental science & technology
22116165 2012-01-21 Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide Dalton transactions (Cambridge, England : 2003)
16497524 2006-11-01 Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Journal of molecular graphics & modelling
15962942 2005-06-01 Prediction of genotoxicity of chemical compounds by statistical learning methods Chemical research in toxicology
10989984 2000-07-01 Steroid hormone activity of flavonoids and related compounds Breast cancer research and treatment
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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