4,4'-티오비스(2-메틸-6-tert-부틸페놀)

4,4'-Thiobis(2-tert-butyl-6-methylphenol)

HCID 7306

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 96-66-2
표준 SMILES: Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey: YFHKLSPMRRWLKI-UHFFFAOYSA-N
분자식: C22H30O2S
평균 분자량: 358.5 g/mol
단동위원소 질량: 358.19665137

이름 및 식별자

우선 이름: 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
IUPAC: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
현지명: 4,4'-티오비스(2-메틸-6-tert-부틸페놀)
영어명: 4,4'-Thiobis(2-methyl-6-tert-butylphenol)
분자식: C22H30O2S
분자량: 358.54

이름 및 동의어

96-66-2Antioxidant E 736Antioxidant 736Ethyl 736Tioalkofen BMEthyl antioxidant 736Ethanox 7364,4'-Thiobis(2-tert-butyl-6-methylphenol)6,6'-Di-tert-butyl-4,4'-thiodi-o-cresolPhenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-NSC 58409E 736

이름 더 보기

4,4'-티오비스(2-메틸-6-tert-부틸페놀)tb2ethanox736e736TB 2TB 2terethyl736

4,4'-Thio-bis(6-tert-butyl-o-cresol)9NZP7NUO2YEINECS 202-522-6o-CRESOL, 4,4'-THIOBIS(6-t-BUTYL-BRN 2061707Phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-6-methyl-NSC-58409o-Cresol, 4,4'-thiobis(6-tert-butyl-

데이터베이스 식별자

CAS: 96-66-2
PubChem CID: 7306
DTXSID: DTXSID8059136
UNII: 9NZP7NUO2Y
EC Number: 202-522-6
Nikkaji: J12.988G

물성

구조 계산 물성

XLogP: 7.4
극성 표면적: 65.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 396

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Curing Agents (Aromatic)

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionOff-white crystalline powder with a mild phenolic odor; [Great Lakes Chemical MSDS]

물리화학적 성질

녹는점: 127 °C · 127°C
끓는 점: 316 °C/40 · 316 °C/40 mmHg(lit.)
밀도: 1.0594 · 1.0594 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
인화점: 241 °C · 241 °C
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 11 · 11.00±0.36(Predicted)
NIST: 4 · Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-(96-66-2)
EPA: 4 · 4,4'-Thiobis[2-tert-butyl-6-methylphenol] (96-66-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.