에틸3-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester

HCID 64871CAS 36294-24-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: ZCWSUZJGZZFSHM-UHFFFAOYSA-N
분자식: C19H30O3
평균 분자량: 306.4 g/mol
단동위원소 질량: 306.21949482

이름 및 식별자

우선 이름: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
IUPAC: ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
현지명: 에틸3-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트
영어명: ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
분자식: C19H30O3
분자량: 306.44

이름 및 동의어

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl esterRefChem:56361236294-24-3Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateMFCD00210464Ethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamateethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateEthyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate0E7AM882ZYEINECS 252-953-9UNII-0E7AM882ZYEthyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate

이름 더 보기

에틸3-(3,5-디-tert-부틸-4-히드록시페닐)프로피오네이트3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid ethyl ester

SCHEMBL83910Ethyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateSCHEMBL7604264DTXSID1067966AKOS016007408FE70475AS-69246DA-17613

데이터베이스 식별자

CAS: 36294-24-3
PubChem CID: 64871
DTXSID: DTXSID1067966
UNII: 0E7AM882ZY
EC Number: 252-953-9
Nikkaji: J319.624K

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 22
형식 전하: 0
복잡도: 338

물리화학적 성질

녹는점: 50 · 50-51 °C(Solv: ethanol (64-17-5); water (7732-18-5))
끓는 점: 357.6 · 357.6±37.0 °C(Predicted)
밀도: 0.997 · 0.997±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 12.35 · 12.35±0.40(Predicted)
InChI: 1S/C19H30O3/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7/h11-12,21H,8-10H2,1-7H3
InChIKey: ZCWSUZJGZZFSHM-UHFFFAOYSA-N
SMILES: O(CC)C(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
EPA: 3 · Ethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate (36294-24-3)

안전 및 규제

유해성 정보

Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence

안전 데이터

wgk: WGK 2
tsca: TSCA listed
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester: INACTIVE

공급사26 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

연결된 노트

불러오는 중…