2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol

HCID 66662

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90-68-6
표준 SMILES: Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1
InChIKey: LKALLEFLBKHPTQ-UHFFFAOYSA-N
분자식: C31H40O3
평균 분자량: 460.6 g/mol
단동위원소 질량: 460.29774513

이름 및 식별자

우선 이름: 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol
IUPAC: 2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
영어명: 2,6-bis[[3-(tert-butyl)-2-hydroxy-5-tolyl]methyl]-4-methylphenol
분자식: C31H40O3
분자량: 460.65

이름 및 동의어

Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-NSC-62914Phenol, 2,6-bis((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methyl-K720MI5DT82,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENOLNSC-67516DTXSID20590132,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)-4-methylphenol2,6-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-methylphenol2,6-BIS[[3-(TERT-BUTYL)-2-HYDROXY-5-TOLYL]METHYL]-4-METHYLPHENOL2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol2,6-BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)-P-CRESOL

이름 더 보기

2,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENO2,2'-[(2-Hydroxy-5-methyl-1,3-phenylene)bismethylene]bis(4-methyl-6-tert-butylphenol)6,6'-((2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene))bis(2-(tert-butyl)-4-methylphenol)

2,6-Bis((3-(tert-butyl)-2-hydroxy-5-tolyl)methyl)-4-methylphenol4-METHYL-2,6-BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)PHENOL4-METHYL-2,6-BIS(3-TERT-BUTYL-5-METHYL-2-HYDROXYBENZYL)PHENOL2,6-BIS((3-(1,1-DIMETHYLETHYL)-2-HYDROXY-5-METHYLPHENYL)METHYL)-4-METHYLPHENOL2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenolRefChem:445213DTXCID404869690-68-6

데이터베이스 식별자

CAS: 90-68-6
PubChem CID: 66662
DTXSID: DTXSID2059013
ChEMBL: CHEMBL1481029
UNII: K720MI5DT8
EC Number: 202-011-8
Nikkaji: J182.072I

물성

구조 계산 물성

XLogP: 9.1
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 34
형식 전하: 0
복잡도: 592

물리화학적 성질

녹는점: 154 · 154-158 °C
끓는 점: 562.1 · 562.1±45.0 °C(Predicted)
밀도: 1.082 · 1.082±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.22 · 10.22±0.50(Predicted)
EPA: 2 · Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl- (90-68-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesEye Irrit. 2 (100%)；Aquatic Chronic 4 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-: ACTIVE

공급사3 곳

上海仲因实业有限公司2537653158 16621191650 · [email protected]

合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

화합물 노트

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