Bisoctrizole

HCID 3571576
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Grundinformationen

CAS
103597-45-1
Standard-SMILES
CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIKey
FQUNFJULCYSSOP-UHFFFAOYSA-N
Summenformel
C41H50N6O2
Durchschnittliche Molmasse
658,9 g/mol
Monoisotopische Masse
658,39952484

Überblick

Bisoctrizole is a diarylmethane.

Namen und Bezeichner

Bevorzugter Name
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
Englischer Name
Bisoctrizole
Summenformel
C41H50N6O2
Molmasse
658.87

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
12,8
Polarare Oberfläche (TPSA)
102 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
10
Schwere Atome
49

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Polymers · 3 Einträge

Plastics -> Other functions -> Other stabiliser

Plastics -> Light stabilisers

Plastics -> PMMA; PC

Solubility< 5 ng/L at 25 °C
Food Contact Substances · 4 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

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

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

Physical DescriptionOther Solid; Dry Powder; Large Crystals

Physikochemische Eigenschaften

Schmelzpunkt
197 · 197-199 °C(lit.)
Siedepunkt
771.6 · 771.6±70.0 °C(Predicted)
Dichte
20 · d20 1.2
Dampfdruck
0 Pa · 0Pa at 25℃
Flammpunkt
200 °C · >200°C
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 Einträge

Aquatic Chronic 4 (100%)

Aquatic Chronic 4 (98.3%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29339900
risk_code
36/37/38-53
safety_code
26-36/37/39-61
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

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 Einträge

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.

No pharmacokinetic data available.

No pharmacokinetic data available.

Verwendung und Herstellung

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 Einträge

Plastics -> Light stabilisers

Plastics -> Other functions -> Other stabiliser

Plastics -> Polymer Type -> PMMA; PC

General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

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

Anwendungen

VerwendenBisoctrizole 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.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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.

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