4,4′-이소프로필아이덴비스(2,6-디메틸페놀)

4,4'-Isopropylidenedi-2,6-xylol

HCID 79717CAS 5613-46-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
분자식
C19H24O2
평균 분자량
284.4 g/mol
단동위원소 질량
284.17763001

이름 및 식별자

우선 이름
4,4'-Isopropylidenedi-2,6-xylol
IUPAC
4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
현지명
4,4′-이소프로필아이덴비스(2,6-디메틸페놀)
영어명
2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
분자식
C19H24O2
분자량
284.39

이름 및 동의어

4,4'-Isopropylidenedi-2,6-xylolRefChem:506703227-033-55613-46-72,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)tetramethyl bisphenol ATetramethylbisphenol A4,4'-propane-2,2-diylbis(2,6-dimethylphenol)4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propaneMFCD00068238
이름 더 보기
4,4′-이소프로필아이덴비스(2,6-디메틸페놀)2,2-BIS(4-하이드록시-3,5-디메틸페닐)프로판Nsc73730Bisxylenol ALABOTEST-BB LT00159397Adrenaline Impurity 54bisphenol a, tetramethyl4,4-isopropylidenedi-2,6-xylol3,3’,5,5'-tetramethylbisphenol A4,4'-Isopropylidenedi-2,6-xylenol
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-TetramethylbisphenolADTXSID80479734-[1-(4-Hydroxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenol4,4'-Isopropylidenebis(2,6-dimethylphenol)NSC 73730bis(2,6-dimethylphenol), 2DTXCID4027949

데이터베이스 식별자

CAS
5613-46-7
PubChem CID
79717
DTXSID
DTXSID8047973
ChEMBL
CHEMBL480406
EC Number
227-033-5
Nikkaji
J225.054C

물성

구조 계산 물성

XLogP
5.5
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
21

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047973]

물리화학적 성질

녹는점
162 · 162-165 °C (lit.)
끓는 점
420.6 · 420.6±40.0 °C(Predicted)
밀도
1.074 · 1.074±0.06 g/cm3(Predicted)
증기압
0 Pa · 0Pa at 20℃
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (95.2%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-

Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29072990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

용도 및 제조

U.S. Production2022: 147,840 lb
Industry UsesFlame retardant
General Manufacturing Information · 2건

Plastics Product Manufacturing

Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-: ACTIVE

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]

관련 반응

7건
반응 기록 만들기

연결된 노트

불러오는 중…