벤젠프로판산,3-(2H-벤조트리아졸-2-일)-5-(1,1-디메틸에틸)-4-히드록시-,메틸에스테르

2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole

HCID 93481CAS 104810-48-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
분자식: C20H23N3O3
평균 분자량: 353.4 g/mol
단동위원소 질량: 353.1739416

이름 및 식별자

우선 이름: 2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
IUPAC: methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
현지명: 알파-(3-(3-(2H-벤조트리아졸-2-일)-5-(1,1-디메틸에틸)-4- 히드록시페닐)-1-옥소프로필)-오메가-히드록시-폴리(옥시-1,2-에탄디일)
영어명: Tinuvin-1130
분자식: (C2H4O)nC19H21N3O3
분자량: 0

이름 및 동의어

84268-33-7Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl esterDTXSID90364882-(3'-tert-butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazoleRefChem:1060963DTXCID7016488Tinuvin 1130104810-48-2Methyl 3-(3-(2H-benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoate102577-46-8UV-1130MFCD01743055

이름 더 보기

알파-(3-(3-(2H-벤조트리아졸-2-일)-5-(1,1-디메틸에틸)-4-히드록시페닐)-1-옥소프로필)-오메가-히드록시-폴리(옥시-1,2-에탄디일)UV5050UV 5151TINUVIN 213UV 1130 / Tinuvin-1130Tinuvin-1130 ISO 9001：2015 REACHTinuvin-1130Antioxidant 1130CHLUMILS UV 5151Light Stabilizer 5151

methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate634MC97D37Methyl 3-(3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl)propionateMethyl 3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamateMethyl 3-[3-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl]propanoateSCHEMBL31360SCHEMBL29350844UNII-634MC97D37

데이터베이스 식별자

CAS: 104810-48-2、84268-33-7
PubChem CID: 93481
DTXSID: DTXSID9036488
UNII: 634MC97D37
EC Number: 400-820-2、600-603-4、672-710-4
Nikkaji: J661.254G

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 77.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 479

실험 및 물리화학적 성질

Physical DescriptionOther Solid

물리화학적 성질

끓는 점: 166 °C · 166 °C (0,011 kPa)
밀도: 1 · 1,17 g/cm3 (20 °C)
증기압: 0 · 0,0048 hPa (25 °C)
인화점: 218 °C · 218 °C
물리적 상태: viscous liquid
색상: light yellow to light amber
냄새: odourless
수소이온지수(pH): 6 · approx. 6,5 (10 g/l, 20 - 25 °C)
수용성: 0 · 0,0077 g/l (20 °C, 1.013 hPa)
화장품 원료 기능: 광안정기
InChI: InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCC1=CC(C(C)(C)C)=C(O)C(N2N=C3C=CC=CC3=N2)=C1
EPA: -3 · Polyethylene glycol mono-3-[3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl ether (104810-48-2)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.4% (16 of 473) of reports.

Warning

H317 (96.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 473 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 0.9% (1 of 112) of reports.

유해성 정보

Regulatory Information · 6건

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-.omega.-hydroxy-

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

Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester 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.

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Status: Active Update: 05-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16213

Hazard Classes and Categories · 3건

Skin Sens. 1 (96.6%)

Aquatic Chronic 4 (99.1%)

Skin Sens. 1 (100%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-02739

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <5,000,000 lb

Consumer UsesUV stabilizer

Industry UsesIntermediate

Household Products · 2건

Information on 14 consumer products that contain Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester in the following categories is provided:

Information on 29 consumer products that contain Poly(oxy-1,2-ethanediyl), alpha-(3-(3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxopropyl)-omega-hydroxy- in the following categories is provided:

General Manufacturing Information · 3건

All Other Basic Organic Chemical Manufacturing

Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester: ACTIVE

Poly(oxy-1,2-ethanediyl), .alpha.-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-.omega.-hydroxy-: ACTIVE

응용 분야 · 1건

용도Tinuvin-1130 has good resistance to high temperature and anti-extraction properties. The product is particularly suitable for the field of industrial with high weather resistance requirements and automotive coatings, and it also provides adequate protection for woody sensitive substrates.