2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole (HCID 77455)

이름 및 식별자

우선 이름: 2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
IUPAC: 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
영어명: UV-320
분자식: C20H25N3O
분자량: 323.43

이름 및 동의어

3846-71-72-(2'-HYDROXY-3',5'-DI-TERT-BUTYLPHENYL)BENZOTRIAZOLEPhenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-DTXSID40520592-(2'-hydroxy-3',5'-di-tert-butylphenyl) benzotriazoleHDBB cpdRefChem:898215DTXCID90306262-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-butylphenolUV-3202-(benzotriazol-2-yl)-4,6-ditert-butylphenol

이름 더 보기

4,6-Di-tert-butyl-2-(2H-benzotriazole-2-yl)phenolUV Absorber 320Ultraviolet absorbent UV-3202-(2-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)BENZOTRIAZOLE2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-Phenol

TINUVIN 320US7KL87A2P2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2h-benzotriazole2-(2H-1,2,3-benzotriazol-2-yl)-4,6-di-tert-butylphenol2-Benzotriazol-2-yl-4,6-di-tert-butylphenolMFCD01075688HDBB2-Benzotriazole-2-yl-4,6-di-tert-butylphenol

데이터베이스 식별자

CAS: 3846-71-7
PubChem CID: 77455
DTXSID: DTXSID4052059
UNII: US7KL87A2P
EC Number: 223-346-6
Nikkaji: J87.339J

물성

구조 계산 물성

XLogP: 7.3
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 425

실험 및 물리화학적 성질

Collision Cross Section192.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4052059]；186.0 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4052059]

물리화학적 성질

녹는점: 152 · 152-154°C
끓는 점: 444 · 444.0±55.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
인화점: 215 °C · 215°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.41 · 9.41±0.48(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
InChIKey: LHPPDQUVECZQSW-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1N1N=C2C=CC=CC2=N1
EPA: 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)- (3846-71-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.8% (1 of 133) of reports.

Warning

H351 (85%): Suspected of causing cancer [Warning Carcinogenicity]；H373 (98.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (99.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 133 reports by companies.；There are 7 notifications provided by 132 of 133 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

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

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - EC PBTs；Report - if used as a fragrance or flavor ingredient

Substance: 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320)；EC: 223-346-6；Date of inclusion: >17-Dec-2014；Reason for inclusion: PBT (Article 57d); vPvB (Article 57e)

Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: 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；IMAP assessments - Hindered phenolic benzotriazoles: Human health tier II assessment

Hazard Classes and Categories · 3건

Carc. 2 (85%)；STOT RE 2 (98.5%)；Aquatic Chronic 3 (99.2%)

Specific target organ toxicity (repeated exposure) - category 2

Specific target organ toxicity - Repeated exposure - Category 1 (heart, liver, kidney, blood system)

규제 정보

Regulatory Information · 4건

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

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - EC PBTs；Report - if used as a fragrance or flavor ingredient

Substance: 2-benzotriazol-2-yl-4,6-di-tert-butylphenol (UV-320)；EC: 223-346-6；Date of inclusion: >17-Dec-2014；Reason for inclusion: PBT (Article 57d); vPvB (Article 57e)

Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

tsca: TSCA listed
ridadr: 3077
risk_code: 48/22-52/53
safety_code: 26-36/37/39
기존화학 물질: KE-02734

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-: ACTIVE

응용 분야 · 1건

용도UV-320 is a benzotriazole UV stabilizer, which is used to increase product stability and to prevent discolouration in various consumer and industrial goods such as plastics. Benzotriazole UV stabilizers are a pollutant for the aquatic environment and have been implicated as a potential stable and toxic ligands for aryl hydrocarbon receptor in human.