2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀

2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol

HCID 112412

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70321-86-7
표준 SMILES: CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIKey: OLFNXLXEGXRUOI-UHFFFAOYSA-N
분자식: C30H29N3O
평균 분자량: 447.6 g/mol
단동위원소 질량: 447.23106255

이름 및 식별자

우선 이름: 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
IUPAC: 2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
현지명: 2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀
영어명: 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
분자식: C30H29N3O
분자량: 447.57

이름 및 동의어

2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenolBENZOTRIAZOLE BTPhenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-Tinuvin 2349B1ZX3NU45DTXSID2028985EINECS 274-570-6UNII-9B1ZX3NU45DTXCID008985UV 234 (ANTIOXIDANT)EC 274-570-62-(2h-benzotriazol-2-yl)-4,6-bis(1-methyl-l-phenylethyl)phenol

이름 더 보기

2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀(2-(2H-BENZOTRIAZOL-...자외선흡수제UV-234UV-234TINUVIN 900UV-900UV ABSORBER 234UV Absorber UV-2342-(2h-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-phenoBenzotriazol-2-yl-4,6-bis(1-methyl-1-phenylethyl)phenols (UV 234)

2-(2-HYDROXY-3,5-DI-.ALPHA.-CUMYLPHENYL)-2H-BENZOTRIAZOLEPhenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)2-(2-HYDROXY-3,5-DI(1,1-DIMETHYLBENZYL)PHENYL)-2H-BENZOTRIAZOLE2-(2'-HYDROXY-3',5'-BIS(.ALPHA.,.ALPHA.-DIMETHYLBENZYL)PHENYL)BENZOTRIAZOLE2-(2H-BENZOTRIAZOL-2-YL)-4,6-BIS(.ALPHA.,.ALPHA.-DIMETHYLBENZYL)PHENOL2-(3',5'-BIS(.ALPHA.,.ALPHA.-DIMETHYLBENZYL)-2'-HYDROXYPHENYL)BENZOTRIAZOLE274-570-62-(3',5'-bis(alpha,alpha-dimethylbenzyl)-2'-hydroxyphenyl)benzotriazole

데이터베이스 식별자

CAS: 70321-86-7
PubChem CID: 112412
DTXSID: DTXSID2028985
ChEMBL: CHEMBL1892237
UNII: 9B1ZX3NU45
EC Number: 274-570-6
Nikkaji: J26.632I

물성

구조 계산 물성

XLogP: 8.6
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 34
형식 전하: 0
복잡도: 652

실험 및 물리화학적 성질

Chemical ClassesUV filter

Polymers · 3건

Plastics -> Light stabilisers

Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Other functions -> Other stabiliser

Food Contact Substances · 3건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

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

Physical DescriptionLiquid; Other Solid; Dry Powder

Collision Cross Section218.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2028985]

물리화학적 성질

녹는점: 139 · 139-143 °C(lit.)
끓는 점: 589.3 · 589.3±60.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
인화점: 383 °F · 383 °F(lit.)
저장 조건: Refrigerator
용해도: 2 O: · H2O: <20 °C에서 <0.04 ppm, 불용성
산도 계수 (pKa): 9 · 9+-.0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
냄새: 신선한 과일 라즈베리 로즈
수용성: 20 °C에서 · 불용성, 20°C에서 <0.04ppm
Henry's Law Constant: 7.2 · 7.2×109 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3
InChIKey: OLFNXLXEGXRUOI-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C2=CC=CC=C2)C)C=C(C(C)(C2=CC=CC=C2)C)C=C1N1N=C2C=CC=CC2=N1
EPA: 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- (70321-86-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 39.1% (232 of 593) of reports.

Warning

H315 (12%): 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 593 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-

Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- 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: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11135

Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-: 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 (12%)

안전 데이터

wgk: -
tsca: TSCA listed
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-02736
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesPlastics -> Typical concentration range in plastic materials -> 0.2 - 5.0%

U.S. Production2023: 850,000 - <1,000,000 lb

Consumer UsesAntioxidant

Industry UsesAntioxidant

Use Classification · 3건

Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Light stabilisers

Plastics -> Other functions -> Other stabiliser

General Manufacturing Information · 2건

Adhesive Manufacturing

Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-: ACTIVE

응용 분야

용도Benzotriazole BT is a low volatile benzotriazole UV light absorber and stabilizer.

공급사100 곳

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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