기본 정보
- CAS
103597-45-1- 표준 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- 분자식
- C41H50N6O2
- 평균 분자량
- 658.9 g/mol
- 단동위원소 질량
- 658.39952484
개요
Bisoctrizole is a diarylmethane.
이름 및 식별자
- 우선 이름
- 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
- 현지명
- 비스(2-하이드로옥시-5-T-옥틸-3-(벤조트리아졸-2-일)페닐)메탄
- 영어명
- Bisoctrizole
- 분자식
- C41H50N6O2
- 분자량
- 658.87
이름 및 동의어
BisoctrizoleFAT 75'634Bisoctrizole [USAN]Bisoctrizol8NT850T0YSDTXSID2046703NSC-759873BISOCTRIZOLE [MI]FAT-75634BISOCTRIZOLE [INN]BISOCTRIZOLE [MART.]BISOCTRIZOLE [USP-RS]
이름 더 보기
비스(2-하이드로옥시-5-T-옥틸-3-(벤조트리아졸-2-일)페닐)메탄메칠렌비스-벤조트리아졸릴테트라메칠부틸페놀자외선흡수제UV-360UV-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)
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 12.8
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 989
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Polymers
Plastics -> Other functions -> Other stabiliser
Plastics -> Light stabilisers
Plastics -> PMMA; PC
Solubility< 5 ng/L at 25 °C
Food Contact Substances
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
물리화학적 성질
- 녹는점
- 197 · 197-199 °C(lit.)
- 끓는 점
- 771.6 · 771.6±70.0 °C(Predicted)
- 밀도
- 20 · d20 1.2
- 증기압
- 0 Pa · 0Pa at 25℃
- 인화점
- 200 °C · >200°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- almost transparency in THF
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 7.62 · 7.62±0.50(Predicted)
- 색상
- White to Orange to Green
- 수용성
- 5 ng/L · Insoluble < 5 ng/L at 25 °C
- Merck
- 14 · 14,1294
- BRN
- 11326835 · 11326835
- 안정성
- 감광성
- 주요 응용
- 청소용품화장품환경음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 자외선 필터광안정기
- 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℃
- EPA
- 2 · Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- (103597-45-1)
화학적 성질
White powder
Wavelengths covered: about 280-400 nm, which covers both UVB and UVA ranges; peak protection at 303 nm and 358 nm.
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
Aquatic Chronic 4 (100%)
Aquatic Chronic 4 (98.3%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 29339900
- risk_code
- 36/37/38-53
- safety_code
- 26-36/37/39-61
- 기존화학 물질
- KE-23812
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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
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.
용도 및 제조
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
Plastics -> Light stabilisers
Plastics -> Other functions -> Other stabiliser
Plastics -> Polymer Type -> PMMA; PC
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-: ACTIVE
응용 분야
용도Bisoctrizole 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.
일반 설명Bisoctrizole 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.
상·하류 제품 정보
상류 원료
공급사100 곳
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Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
추가 설명
정의ChEBI: 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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