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
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
471.8°C at 760 mmHg
Melting Point
106-108°C
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.
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].
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114085429-A | Microcapsule flame retardant and preparation method and application thereof | 2021-12-31 |
| JP-2022036178-A | Performance evaluation method and manufacturing control method of foamable laminate | 2021-12-28 |
| CN-114015224-A | Transparent chemical-resistant container shell and preparation method thereof | 2021-12-26 |
| 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 |
