2,2'-디히드록시-3,3'-디-tert-부틸-5,5'-디메톡시디페닐

3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diol

HCID 119234
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기본 정보

CAS
14078-41-2
표준 SMILES
COc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIKey
CBYWHFTZNVZQHV-UHFFFAOYSA-N
분자식
C22H30O4
평균 분자량
358.5 g/mol
단동위원소 질량
358.21440944

개요

metabolite of butylated hydroxyanisole

이름 및 식별자

우선 이름
3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diol
IUPAC
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenol
현지명
2,2'-디히드록시-3,3'-디-tert-부틸-5,5'-디메톡시디페닐
영어명
2,2'-dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxydiphenyl
분자식
C22H30O4
분자량
358.47

이름 및 동의어

14078-41-22,2'-Dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxydiphenyldi-BHAS16M65880C(1,1'-Biphenyl)-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-[1,1'-Biphenyl]-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-RefChem:5276523,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diol604-200-43,3'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diol3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diol2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenol
이름 더 보기
2,2'-디히드록시-3,3'-디-tert-부틸-5,5'-디메톡시디페닐BHA biphenyl type dimer2,2′-bis-(6-t-butyl-4-methoxy--phenol-)3,3-DI-TERT-BUTYL-5,5-DIMETHOXY-2,2-BIPHENYLDIOL5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol3,3’-Di-tert-butyl-5,5’-dimethoxy-[1,1’-biphenyl]-2,2’-diol2-tert-Butyl-6-(3-tert-Butyl-2-hydroxy-5-methoxyphenyl)-4-methoxypheno
3-tert-Butyl-4-hydroxyanisole dimerMFCD01112111CCRIS 37473,3'-DI-TERT-BUTYL-5,5'-DIMETHOXY-2,2'-BIPHENYLDIOL3,3'-di-tert-butyl-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diol3,3'-di-tert-Butyl-5,5'-dimethoxybiphenyl-2,2'-diol;UNII-S16M65880CCBYWHFTZNVZQHV-UHFFFAOYSA-N

데이터베이스 식별자

CAS
14078-41-2
PubChem CID
119234
DTXSID
DTXSID00930919
UNII
S16M65880C
EC Number
604-200-4
Nikkaji
J392.984A

물성

구조 계산 물성

XLogP
6.1
극성 표면적
58.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
26

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
228 °C · 228 °C(Solv: benzene (71-43-2))
끓는 점
464.2 · 464.2±45.0 °C(Predicted)
밀도
1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C, stored under nitrogen
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 04-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11829
Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H351

화학 및 산업

상·하류 제품 정보

공급사15 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

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