2,6-디-tert-부틸-4-머캅토페놀

2,6-Di-tert-butyl-4-mercaptophenol

HCID 70370CAS 950-59-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(S)cc(C(C)(C)C)c1O
InChIKey: NFVMNXZFSKGLDR-UHFFFAOYSA-N
분자식: C14H22OS
평균 분자량: 238.39 g/mol
단동위원소 질량: 238.13913632

이름 및 식별자

우선 이름: 2,6-Di-tert-butyl-4-mercaptophenol
IUPAC: 2,6-ditert-butyl-4-sulfanylphenol
현지명: 2,6-디-tert-부틸-4-머캅토페놀
영어명: 2,6-Di-tert-butyl-4-mercaptophenol
분자식: C14H22OS
분자량: 238.39

이름 및 동의어

2,6-Di-tert-butyl-4-mercaptophenol950-59-42,6-Di-tert-butyl-4-thiophenolEINECS 213-451-52,6-bis(1,1-dimethylethyl)-4-mercaptophenolDTXSID00241719RefChem:445268DTXCID80164210213-451-52,6-di-tert-butyl-4-sulfanylphenol2,6-ditert-butyl-4-sulfanylphenol4-mercapto-2,6-di-tert-butylphenol

이름 더 보기

2,6-디-tert-부틸-4-머캅토페놀Probucol 8Warfarin-002Probucol Impurity 3Probucol Impurity 8Probucol impurity D2,6-Di-tert-butyl-4-mercatophenol

MFCD005510412,6-bis(tert-butyl)-4-sulfanylphenol2,6-Di-tert-butyl-4-mercapto-phenol2,6-Di-tert-butyl-4-thiophenol; 3,5-Di-tert-butyl-4-hydroxybenzenethiol; 3,5-Di-tert-butyl-4-hydroxythiophenol; H 327/742,6-ditert-butyl-4-sulfanyl-phenolZT9Q8D3AMBSCHEMBL224048SCHEMBL5610588

데이터베이스 식별자

CAS: 950-59-4
PubChem CID: 70370
DTXSID: DTXSID00241719
UNII: ZT9Q8D3AMB
EC Number: 213-451-5
Nikkaji: J2.959.727H、J298.556J

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 21.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 212

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen
용해도: 디클로로메탄, 디에틸에테르, 에틸아세테이트, 헥산에 용해됨
물리적 상태: solid
InChI: 1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey: NFVMNXZFSKGLDR-UHFFFAOYSA-N
SMILES: OC(C(C(C)(C)C)=CC(S)=C1)=C1C(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.