Octrizole (HCID 62485)

概要

Octrizole is a small molecule drug. Octrizole has a monoisotopic molecular weight of 323.2 Da.

名称と識別子

優先名称: Octrizole
IUPAC: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
現地名: オクトリゾール
英語名: UV-329
分子式: C20H25N3O
分子量: 323.43

名称と別名

OCTRIZOLE3147-75-92-(2-Hydroxy-5-tert-octylphenyl)benzotriazoleTinuvin 329Cyasorb 54112-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenolCyasorb UV 5411OctrizolSumisorb 3402-Benzotriazolyl-4-tert-octylphenolSeesorb 709Viosorb 583

名称をさらに表示

2-(2-ヒドロキシ-5-tert-オクチルフェニル)ベンゾトリアゾール2-[2-ヒドロキシ-5-(1,1,3,3-テトラメチルブチル)フェニル]-2H-ベンゾトリアゾール2-(2H-ベンゾトリアゾール-2-イル)-4-tert-オクチルフェノールオクトリゾールチヌビン3292-(2-ヒドロキシ-5-tert-オクチルフェニル)-2H-ベンゾトリアゾール2-(2H-ベンゾトリアゾール-2-イル)-4-(1,1,3,3-テトラメチルブチル)フェノールシアソルブUV54112-(5-tert-オクチル-2-ヒドロキシフェニル)ベンゾトリアゾ-ル2-(5-t-オクチル-2-ヒドロキシフェニル)ベンゾトリアゾ-ル２［２ヒドロキシ５（１，１，３，３テトラメチルブチル）フェニル］ベンゾトリアゾル2-［2-ヒドロキシ-5-（1，1，3，3-テトラメチルブチル）フエニル］ベンゾトリアゾールBISオクトリゾール RELATED COMPOUND A (2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL) PHENOL)アデカスタブLA-29シアソルブ5411シアソルブUV-54112-(2H-1,2,3-ベンゾトリアゾール-2-イル)-4-(2,4,4-トリメチルペンタン-2-イル)フェノール2-(2H-ベンゾトリアゾール-2-イル)-4-(2,4,4-トリメチルペンタン-2-イル)フェノールLABOTEST-BB LT00053579Ultraviolet absorbent UV-329UV-329EUSORB 323HRsorb-329

Spectra-Sorb UV 5411OctrizolumOctrizol [INN-Spanish]Octrizole [USAN:INN]Octrizolum [INN-Latin]UV Absorber-52-(2-Hydroxy-5-t-octylphenyl)benzotriazole2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole

データベース識別子

CAS: 3147-75-9
PubChem CID: 62485
DTXSID: DTXSID9027522
ChEMBL: CHEMBL1886986
UNII: R775Y233N3
EC Number: 221-573-5
Nikkaji: J7.685F

物性

構造計算による物性

XLogP: 7.3
極性表面積: 50.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 24
形式電荷: 0
複雑度: 417

実験および物理化学的性質

Chemical ClassesUV filter

Polymers · 3 件

Plastics -> Light stabilisers

Plastics -> PC

Plastics -> Other functions -> Other stabiliser

CosmeticsUv absorber

FragrancesFragrance Ingredient (2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole) -> IFRA transparency List

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionOther Solid; Dry Powder; CBI; Large Crystals; Dry Powder; Large Crystals

物理化学的性質

融点: 106 · 106-108 °C(lit.)
沸点: 471.8 · 471.8±55.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 20℃
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 8.07 · 8.07±0.45(Predicted)
色: ホワイトからオフホワイト
水溶解度: 2 μg/L · 2μg/L at 20℃
化粧品成分の機能: 光安定剤
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
InChIKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(C)(C)CC(C)(C)C)C=C1N1N=C2C=CC=CC2=N1
LogP: 7.29 · 7.290 (est)
CAS データベース: 3147 · 3147-75-9(CAS DataBase Reference)
EPAの化学物質情報: Octrizole (3147-75-9)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 56.8% (407 of 717) of all reports.

Warning

H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 717 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 6 件

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-

Hazard Traits - Bioaccumulation; Environmental Persistence

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13220

Substance: 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329)

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (15.3%)

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 2933997500
risk_code: 36/37/38
化審法: (5)-5371
hazard_code: Xi
safety_code: 26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesPlastics -> Typical concentration range in plastic materials -> 0.3%

U.S. Production2023: 550,000 - <700,000 lb

Consumer UsesAntioxidant

Industry UsesAntioxidant

Household Products · 2 件

Cosmetics product ingredient: 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329) (Octrizole)

Information on 41 consumer products that contain Octrizole in the following categories is provided:

Use Classification · 5 件

Fragrance Ingredients

Cosmetics -> Uv absorber

Plastics -> Other functions -> Other stabiliser

Plastics -> Light stabilisers

Plastics -> Polymer Type -> PC

応用分野 · 3 件

用途紫外線吸収剤、合成樹脂改良剤研究用。

説明The ultraviolet absorber UV-329 is a highly effective anti-aging additive with excellent performance. It is soluble in benzene, styrene Chemicalbook, dichloromethane and cyclohexane, slightly soluble in alcohols, insoluble in water; it can effectively absorb 270- 380 nanometer ultraviolet light; non-flammable, non-explosive, non-toxic, safe and harmless to use.

使用Ultraviolet screen.