Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester

HCID 174298CAS 83044-90-0

기본 정보

표준 SMILES: CCCCC(CC)COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIKey: AWEVLIFGIMIQHY-UHFFFAOYSA-N
분자식: C27H36ClN3O3
평균 분자량: 486 g/mol
단동위원소 질량: 485.24451969

이름 및 식별자

우선 이름: Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
IUPAC: 2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
영어명: 2-ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate
분자식: C27H36ClN3O3
분자량: 486.05

이름 및 동의어

Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl esterEINECS 280-172-3DTXSID208886052-Ethylhexyl 3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl)propionate2-Ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionateRefChem:117695DTXCID001027881280-172-383044-90-02-ethylhexyl-3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazole-2-yl)phenyl]propionate2-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2h-benzotriazole-2-yl)phenyl]propionateSCHEMBL76644

이름 더 보기

2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate2-Ethylhexyl-3-[3-tert.-butyl-4-hydroxy-5-(5-chlor-2H-benzotriazol-2-yl)phenyl]propionat3-[3-tert-Butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionic acid 2-ethylhexyl ester

SCHEMBL294968452-ethylhexyl 3-[3-tert-butyl-5-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-hydroxyphenyl]propanoateNS000595362-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2h benzotriazole-2-yl)phenyl]propionate2-[3'-t-butyl-5'-(2-(2-ethylhexyloxy)carbonylethyl)-2'-hydroxyphenyl]-5-chlorobenzotriazole2-ethylhexyl-3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazole-2-yl) phenyl]propionate

데이터베이스 식별자

CAS: 83044-90-0
PubChem CID: 174298
DTXSID: DTXSID20888605
EC Number: 280-172-3
Nikkaji: J42.335A

물성

구조 계산 물성

XLogP: 8.5
극성 표면적: 77.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 12
무거운 원자 수: 34
형식 전하: 0
복잡도: 643

물리화학적 성질

끓는 점: 592.2 · 592.2±60.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
산도 계수 (pKa): 9.06 · 9.06±0.50(Predicted)
EPA: 3 · Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester (83044-90-0)

안전 및 규제

유해성 정보

Regulatory Information · 2건

Chemical: Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester

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

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-13784

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester: ACTIVE