2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol

Inquiry

Molecular Formula:

C22H29N3O

Molecular Weight:

351.49

CAS Number:

25973-55-1

Catalog Number:

25973-55-1

Product Information

Molecular Formula:

C22H29N3O

Molecular Weight:

351.49

Description

UV absorber

Synonyms

2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-pheno; 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-Phenol; 2-(2-Hydroxy-3,5-dipenryl-phenyl) benzotriazole; UV-328; 2-(2H-Benzotriazol-2-yl)-4,6-di-tert-amylphenol; UV ABSORBER UV-328

IUPAC Name

2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol

Canonical SMILES

CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC

InChI

InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3

InChI Key

ZMWRRFHBXARRRT-UHFFFAOYSA-N

Boiling Point

469.1°C at 760 mmHg

Melting Point

80-83°C

Flash Point

383 °F

Purity

98%

Density

1.08g/cm3

Solubility

In water, 1.48X10-2 mg/L at 25 °C (est)

Appearance

Slightly yellowish powder

Application

Used in paints and coatings; Used to make paints-coatings-thinners, polymers, flexible and rigid foams, adhesives-sealants, and plastic products; Permitted for use as an inert ingredient in non-food pesticide products.

Stability

Stable under recommended storage conditions.

LogP

log Kow = 7.25 (est)

Vapor Pressure

1.93X10-10 mm Hg at 25 °C (est)

Henry's Law Constant

6.52X10-13 atm-cu m/mol at 25 °C (est)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

7.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

351.231062557 g/mol

Monoisotopic Mass

351.231062557 g/mol

Topological Polar Surface Area

50.9Å²

Heavy Atom Count

Formal Charge

Complexity

464

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114149769-A	High-reflection black adhesive film and preparation method and application thereof	2021-12-29
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
JP-2022043096-A	Resin composition, method for manufacturing cured relief pattern, and semiconductor device	2021-12-01
CN-114131969-A	Composite transparent film and preparation method and application thereof	2021-11-30
CN-114149754-A	Grid adhesive film and preparation method and application thereof	2021-11-30
CN-113999512-A	PC material and preparation method and application thereof	2021-11-23
CN-113999492-A	UV-resistant aging-resistant high-performance LED epoxy resin composition and preparation method thereof	2021-11-22
CN-113943457-A	Preparation process of environment-friendly homogeneous permeable floor	2021-11-12
CN-113831881-A	Epoxy resin adhesive for microporous water permeable material, and microporous water permeable material	2021-11-01
JP-2022009296-A	Resin molded body and decorative sheet	2021-10-20

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
22259380	2012-01-01	Bis(μ-trimethyl-silanolato-κO:O)bis-{[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl-phenolato-κN,O]zinc}	Acta crystallographica. Section E, Structure reports online
23037998	2012-01-01	Ovariectomized mouse uterotrophic assay of 36 chemicals	The Journal of toxicological sciences
21480589	2011-05-01	Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge	Environmental science & technology
15337511	2004-09-01	Temperature-programmed pyrolysis hyphenated with metastable atom bombardment ionization mass spectrometry (TPPy/MAB-MS) for the identification of additives in polymers	Journal of the American Society for Mass Spectrometry

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