CAS 103597-45-1 Bisoctrizole (HCID 3571576)

概要

Bisoctrizole is a diarylmethane.

名称と識別子

優先名称: Bisoctrizole
IUPAC: 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
現地名: ビスオクトリゾール
英語名: Bisoctrizole
分子式: C41H50N6O2
分子量: 658.87

名称と別名

BisoctrizoleFAT 75'634Bisoctrizole [USAN]Bisoctrizol8NT850T0YSDTXSID2046703NSC-759873BISOCTRIZOLE [MI]FAT-75634BISOCTRIZOLE [INN]BISOCTRIZOLE [MART.]BISOCTRIZOLE [USP-RS]

名称をさらに表示

2,2'-メチレンビス[6-(ベンゾトリアゾール-2-イル)-4-tert-オクチルフェノール]メチレンビスベンゾトリアゾリルテトラメチルブチルフェノール2,2'-メチレンビス[4-(1,1,3,3-テトラメチルブチル)-6-(2H-ベンゾトリアゾール-2-イル)フェノール]2,2'-メチレンビス[2-ヒドロキシ-5-(1,1,3,3-テトラメチルブチル)-1,3-フェニレン]ビス(2H-ベンゾトリアゾール)チヌビン3602,2'-メチレンビス[6-(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]2,2'-メチレンビス[6-(2-ベンゾトリアゾリル)-4-(1,1,3,3-テトラメチルブチル)フェノール]2,2'-メチレンビス[4-tert-オクチル-6-(2H-ベンゾトリアゾール-2-イル)フェノール]2,2-メチレンビス[6-(2H-ベンゾトリアゾル-2-イル)-4-(1,1,3,3-テトラメチルブチル)フェノル]2,2-メチレンビス[6-(2H-ベンゾトリアゾ-ル-2-イル)-4-(1,1,3,3-テトラメチルブチル)フェノ-ル]ビス[3-(ベンゾトリアゾール-2-イル)-2-ヒドロキシ-5-tert-オクチルフェニル]メタン6，6’-ビス（2H-ベンゾトリアゾール-2-イル）-4，4’-ビス（2，4，4-トリメチルペンタン-2-イル）-2，2’-メチレンジフェノールビソクトリゾールビスオクトリゾール2,2′-メチレンビス[4-tert-オクチル-6-(2H-ベンゾトリアゾール-2-イル)フェノール]2-(2H-1,2,3-ベンゾトリアゾール-2-イル)-6-{[3-(2H-1,2,3-ベンゾトリアゾール-2-イル)-2-ヒドロキシ-5-(2,4,4-トリメチルペンタン-2-イル)フェニル]メチル}-4-(2,4,4-トリメチルペンタン-2-イル)フェノール2,2′-メチレンビス[6-(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]2,2′-メチレンビス[6-(2-ベンゾトリアゾリル)-4-(1,1,3,3-テトラメチルブチル)フェノール]アデカスタブLA-312,2′-メチレンビス[4-(1,1,3,3-テトラメチルブチル)-6-(2H-ベンゾトリアゾール-2-イル)フェノール]UV-360MBBTMETHYLENE BIS-BENZOTRIAZOLYL TETRAMETHYLBUTYLPHENOLMETHYLENE BIS-BENZOTRIAZOLYL TETRAMETHYLBUTYLPHENO2,2'-Methylenebis[6-(benzotriazol-2-yl)-4-tert-octylphenol]2,2'-METHYLENEBIS[6-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL]2,2-methylenebis(6-(2H-benzotriazol-2-yl) -4-(1,Methylene bisbenzotriazoryl tetramethylbutyl phenol2,2′-Methylenbis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol)

BISOCTRIZOLE [WHO-DD]DTXCID0026703BISOCTRIZOLE [USP MONOGRAPH]2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenolPhenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-BISOCTRIZOLE (MART.)BISOCTRIZOLE (USP-RS)

データベース識別子

CAS: 103597-45-1
PubChem CID: 3571576
DTXSID: DTXSID2046703
ChEMBL: CHEMBL2104957
ChEBI: CHEBI:135865
UNII: 8NT850T0YS
EC Number: 403-800-1、600-456-6、921-481-1
Nikkaji: J94.801B

物性

構造計算による物性

XLogP: 12.8
極性表面積: 102 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 10
重原子数: 49
形式電荷: 0
複雑度: 989

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Polymers · 3 件

Plastics -> Other functions -> Other stabiliser

Plastics -> Light stabilisers

Plastics -> PMMA; PC

Solubility< 5 ng/L at 25 °C

Food Contact Substances · 4 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionOther Solid; Dry Powder; Large Crystals

物理化学的性質

融点: 197 · 197-199 °C(lit.)
沸点: 771.6 · 771.6±70.0 °C(Predicted)
比重(密度): 20 · d20 1.2
蒸気圧: 0 Pa · 0Pa at 25℃
闪点: 200 °C · >200°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: almost transparency in THF
外見: Solid
酸解離定数(Pka): 7.62 · 7.62±0.50(Predicted)
色: White to Orange to Green
水溶解度: 5 ng/L · Insoluble < 5 ng/L at 25 °C
Merck: 14 · 14,1294
BRN: 11326835 · 11326835
安定性: Light Sensitive
主な用途: 洗浄剤化粧品環境食品および飲料パーソナルケア
化粧品成分の機能: UVフィルター光安定剤
InChIKey: ZRFPPIQVEQSFRV-UHFFFAOYSA-N
SMILES: CC(C)(C)CC(C)(C)c1cc(Cc2cc(cc(c2O)-n3nc4ccccc4n3)C(C)(C)CC(C)(C)C)c(O)c(c1)-n5nc6ccccc6n5
LogP: 4.2 at · 4.2 at 20℃
CAS データベース: 103597 · 103597-45-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- (103597-45-1)

化学的性質

化学的特性White powder

化学的特性Wavelengths covered: about 280-400 nm, which covers both UVB and UVA ranges; peak protection at 303 nm and 358 nm.

安全と法規制

GHS分類

GHS Classification · 6 件

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 1.7% (14 of 842) of reports.

H413 (98.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 842 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl]-4-(1,1,3,3-tetramethylbutyl)-

Phenol, 2,2'-methylenebis[6-(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, 2,2'-methylenebis[6-(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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 06-02-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6230

2,2'-Methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 件

Aquatic Chronic 4 (100%)

Aquatic Chronic 4 (98.3%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38-53
化審法: (5)-5906
safety_code: 26-36/37/39-61
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Protein BindingNo pharmacokinetic data available.

PharmacodynamicsUnder the conditions of _in vitro_ androgen competitive binding assay, bisoctrizole displayed no intrinsic androgenic, estrogenic, nor uterotrophic activity.

Mechanism of ActionBisoctrizole is an organic UV-A filter that absorbs both UV-A and UV-B rays.

Biological Half-LifeNo pharmacokinetic data available.

Metabolism/MetabolitesNo pharmacokinetic data available.

Absorption, Distribution and Excretion · 4 件

A rat and human dermal penetration study _in vitro_ indicates that bisoctrizole displays minimal absorption through the skin, with only about 0.01% and 0.06 % of the applied dose penetration through the human and rat skin membrane, respectively. Despite low dermal uptake, potential bioaccumulation after repeated skin applications cannot be excluded.

No pharmacokinetic data available.

用途と製造

UsesPlastics -> Typical concentration range in plastic materials -> 0.2 - 6.0%

U.S. Production2023: 75,000 - <100,000 lb

Consumer UsesUV stabilizer

Industry UsesStabilizing agent

Use Classification · 3 件

Plastics -> Light stabilisers

Plastics -> Other functions -> Other stabiliser

Plastics -> Polymer Type -> PMMA; PC

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-: ACTIVE

応用分野 · 2 件

使用Bisoctrizole is a light stabilizer in polymers and resins. It is majorly used as a UV filter in sunscreens and in photo-luminescent dyes for organic electronic based applications.

一般的な説明Bisoctrizole is a benzotriazole based additive that is used as an ultraviolet absorber (UVA). It reduces degradation of the polymeric material by absorbing the UV radiation and converting it to thermal heat. Bisoctrizole is often added to sunscreen formulations that It may protect skin against blue light and other environmental assaults.

上流・下流製品情報

上流原料

N,N′-メチレンビス(ジプロピルアミン)オクトリゾールホルマリン Tetrabutylammomium bromide 水酸化ナトリウム

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

杭州景优化工有限公司87211835 13957193240 · [email protected]

補足説明

定義本品は、次の化学式で表される複素環式化合物である。

定義ChEBI: Bisoctrizole is a diarylmethane. It is a broad-spectrum organic UV filter that is marketed as Tinosorb M. It is a benzotriazole-based organic compound that absorbs, reflects, and scatters both UV-A and UV-B rays.

化合物ノート

読み込み中…

ビスオクトリゾール

基本情報

概要