3-(3,5-디-tert-부틸-4-히드록시페닐)프로피온산

3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid

HCID 88389CAS 20170-32-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O
InChIKey: WPMYUUITDBHVQZ-UHFFFAOYSA-N
분자식: C17H26O3
평균 분자량: 278.4 g/mol
단동위원소 질량: 278.18819469

개요

do not confuse with the phenothiazine phenosan

이름 및 식별자

우선 이름: 3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid
IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
현지명: 3-(3,5-디-tert-부틸-4-히드록시페닐)프로피온산
영어명: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
분자식: C17H26O3
분자량: 278.39

이름 및 동의어

20170-32-5Fenozan3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acidBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-X6G09G700FDTXSID2066561phenozanfenozan-Kpotassium fenozanpotassium phenosanRefChem:491484DTXCID0036211

이름 더 보기

3-(3,5-디-tert-부틸-4-히드록시페닐)프로피온산3,5-Di-tert-Butyl-4-hydroxyhydrocinnamic acid4-HYDROXY-3,5-DI-TERT-BUTYLPHENYLPROPIONIC ACID3,5-Di-tert-butyl-4-hydroxybenzenepropionic acidAO-PACOX-1-IN-3Fenozan acidAntioxidant 1310CHEMBRDG-BB 5229970

3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionic acidbeta-(4-hydroxy-3,5-di-tert-butyl)phenylpropionic acidbeta-(4-hydroxy-3,5-di-tert-butylphenyl)propionic acidbeta-(4-hydroxy-3,5-di-tertbutylphenyl) propionic acid3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid3,5-di-tert-Butyl-4-hydroxyphenylpropionic acidIRGANOX 1310

데이터베이스 식별자

CAS: 20170-32-5
PubChem CID: 88389
DTXSID: DTXSID2066561
UNII: X6G09G700F
EC Number: 243-556-1
Nikkaji: J27.608A

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 311

실험 및 물리화학적 성질

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

물리화학적 성질

녹는점: 172 · 172-174°C
끓는 점: 364.3 · 364.3±37.0 °C(Predicted)
밀도: 1.049 · 1.049±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.79 · 4.79±0.10(Predicted)
색상: 흰색에서 황백색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
InChIKey: WPMYUUITDBHVQZ-UHFFFAOYSA-N
SMILES: C1(CCC(O)=O)=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
EPA: 3 · 3,5-Di-tert-butyl-4-hydroxyhydocinnamic acid (20170-32-5)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75.9% (104 of 137) of all reports.

Warning

H302 (19%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Hazard Classes and CategoriesAcute Tox. 4 (19%)

안전 데이터

tsca: TSCA listed
HS 번호: 2918290090
risk_code: 36/37/38
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Drugs used to cause dilation of the blood vessels.